id
int64 0
300k
| molecules
dict | ground_truth
stringlengths 7
2.47k
| messages
listlengths 3
3
|
---|---|---|---|
298,855 | {
"selfies": "[C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Branch1][=N][N][Branch1][=Branch2][C][C][N][C][Branch1][C][C][C][C][=C][C][=C][N][=C][C][Branch2][Ring1][#C][C][C][=N][N][Branch2][Ring1][Ring2][C][C][O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][=Ring2][Ring1][C][=N][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N][=C][Ring2][Ring2][O]",
"smiles": "COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCOc5ccc(C(=O)NO)cc5)c4)nc3c2)c1"
} | 4-[2-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethoxy]-N-hydroxybenzamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "4-[2-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethoxy]-N-hydroxybenzamide",
"role": "assistant"
}
] |
298,856 | {
"selfies": "[O][=C][Branch1][C][O][C][C][C][O][C][=C][C][Branch2][Ring2][=Branch1][O][C][C][C][=C][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][N][Ring1][#C][C][=Ring2][Ring1][Ring1][=C][C][=C][Ring2][Ring1][O][Ring2][Ring1][=C]",
"smiles": "O=C(O)CC1COc2cc(OCc3ccc4nc(-c5ccc(C(F)(F)F)cc5)cn4c3)ccc21"
} | 2-[(3S)-6-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "2-[(3S)-6-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid",
"role": "assistant"
}
] |
298,857 | {
"selfies": "[C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch2][Ring1][#Branch2][=C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Ring1][=Branch2][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Ring2][Ring2][Ring2]",
"smiles": "CN1c2ccccc2C(=Cc2sc3ccccc3[n+]2CCCN2CCOCC2)c2oc3ccccc3c21"
} | (11Z)-5-methyl-11-[[3-(3-morpholin-4-ylpropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]-[1]benzofuro[3,2-b]quinoline | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "(11Z)-5-methyl-11-[[3-(3-morpholin-4-ylpropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]-[1]benzofuro[3,2-b]quinoline",
"role": "assistant"
}
] |
298,858 | {
"selfies": "[C][C][=C][C][=C][C][=C][Branch2][Branch1][=Branch1][O][C][C][=C][N][Branch2][Ring2][=Branch2][C][O][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring2][Ring1][Ring1][O][C][Branch1][C][C][=O][N][=N][Ring2][Ring1][N][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][=Branch1]",
"smiles": "CC=Cc1ccc(OCc2cn(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)nn2)c(OC)c1"
} | [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]triazol-1-yl]oxan-2-yl]methyl acetate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]triazol-1-yl]oxan-2-yl]methyl acetate",
"role": "assistant"
}
] |
298,859 | {
"selfies": "[C][O][C][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][=C][Cl]",
"smiles": "COc1cc(NC(=O)C=CC(=O)N2CCCC23Cc2ccccc2NC3=O)c(OC)cc1Cl"
} | (E)-N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-4-(2-oxospiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-1'-yl)but-2-enamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "(E)-N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-4-(2-oxospiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-1'-yl)but-2-enamide",
"role": "assistant"
}
] |
298,860 | {
"selfies": "[C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][N][Branch1][#C][C][C][#C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring1][Ring1][=O]",
"smiles": "CCC(=O)Nc1c(Cl)n(CC#Cc2cccc(O)c2)c(=O)n(C)c1=O"
} | N-[6-chloro-1-[3-(3-hydroxyphenyl)prop-2-ynyl]-3-methyl-2,4-dioxopyrimidin-5-yl]propanamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "N-[6-chloro-1-[3-(3-hydroxyphenyl)prop-2-ynyl]-3-methyl-2,4-dioxopyrimidin-5-yl]propanamide",
"role": "assistant"
}
] |
298,861 | {
"selfies": "[C][C][=N][N][=C][Branch2][#Branch1][=Branch2][C][=C][C][=C][Branch2][=Branch1][=N][C][C][C][=C][C][=C][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][O][C][C][O][C][C][O][C][C][O][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Branch1][S][C][=C][Ring2][Ring1][=N][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring2][N][C][=C][Ring2][Branch1][Ring2][O][Ring2][Branch1][=Branch2]",
"smiles": "Cc1nnc(-c2ccc(CCc3ccc(NC(=O)c4c(NC(=O)c5cccc(COCCOCCOCCOCC(=O)O)c5)sc5c4CCC(C)(C)C5)cc3)cc2)o1"
} | 2-[2-[2-[2-[[3-[[6,6-dimethyl-3-[[4-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]phenyl]carbamoyl]-5,7-dihydro-4H-1-benzothiophen-2-yl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]acetic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "2-[2-[2-[2-[[3-[[6,6-dimethyl-3-[[4-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]phenyl]carbamoyl]-5,7-dihydro-4H-1-benzothiophen-2-yl]carbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]acetic acid",
"role": "assistant"
}
] |
298,862 | {
"selfies": "[C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Branch1][C][N][NH1][N][=C][Ring1][=Branch1][N][=Ring1][P][=C][Ring2][Ring1][#Branch1]",
"smiles": "COc1cccc(-c2cc(-c3ccc(F)cc3)c3c(N)[nH]nc3n2)c1"
} | 4-(4-fluorophenyl)-6-(3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "4-(4-fluorophenyl)-6-(3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine",
"role": "assistant"
}
] |
298,863 | {
"selfies": "[C][#C][C][=C][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][O]",
"smiles": "C#Cc1cccc(C(=O)Nc2ccc(CNC(=O)OCc3cccnc3)cc2)c1"
} | pyridin-3-ylmethyl N-[[4-[(3-ethynylbenzoyl)amino]phenyl]methyl]carbamate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "pyridin-3-ylmethyl N-[[4-[(3-ethynylbenzoyl)amino]phenyl]methyl]carbamate",
"role": "assistant"
}
] |
298,864 | {
"selfies": "[C][=C][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch2][=Branch1][S][N][C][=C][C][=C][Branch2][=Branch1][Ring1][N][C][C][N][Branch2][Branch1][#Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][O][C][C][O][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=C][=O][C][C][Ring2][Ring2][=C][C][=C][Ring2][Branch1][Ring2][N][=C][Ring2][Branch1][O][N][Ring2][Branch1][#C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][=N][Ring1][#Branch2]",
"smiles": "C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CCCC(=O)NCCOCCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1"
} | N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanamide",
"role": "assistant"
}
] |
298,865 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Branch1][O][C][=C][C][=C][C][N][=C][Branch2][Ring1][O][C][C][C][C][Branch1][C][C][N][Ring1][=Branch1][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring1][Branch2][C][#N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][P][=Ring2][Ring1][=N][C][=C][Ring2][Ring2][#Branch1]",
"smiles": "COc1ccc(-c2cccc3nc(C4CCC(C)N4c4nc(N)nc(N)c4C#N)n(-c4ccccc4)c(=O)c23)cc1"
} | 2,4-diamino-6-[(2S,5S)-2-[5-(4-methoxyphenyl)-4-oxo-3-phenylquinazolin-2-yl]-5-methylpyrrolidin-1-yl]pyrimidine-5-carbonitrile | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "2,4-diamino-6-[(2S,5S)-2-[5-(4-methoxyphenyl)-4-oxo-3-phenylquinazolin-2-yl]-5-methylpyrrolidin-1-yl]pyrimidine-5-carbonitrile",
"role": "assistant"
}
] |
298,866 | {
"selfies": "[C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]",
"smiles": "CC(=O)NCCc1ccc(OC2CCC(Nc3ccccc3)CC2)cc1-c1cccc(F)c1"
} | N-[2-[4-(4-anilinocyclohexyl)oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "N-[2-[4-(4-anilinocyclohexyl)oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide",
"role": "assistant"
}
] |
298,867 | {
"selfies": "[N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][N][C][C][C][C][Ring1][Branch1][C][O]",
"smiles": "Nc1ccc(N2CCOCC2)cc1N1CCCC1CO"
} | [(2S)-1-(2-amino-5-morpholin-4-ylphenyl)pyrrolidin-2-yl]methanol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "[(2S)-1-(2-amino-5-morpholin-4-ylphenyl)pyrrolidin-2-yl]methanol",
"role": "assistant"
}
] |
298,868 | {
"selfies": "[C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][=N][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][Branch1][C][O][=C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2][O][=C][Branch1][C][C][C][=C][Ring2][Ring1][P][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][P][C]",
"smiles": "Cc1cc2c(O)c(-c3ccc4c(C(=O)NCC(C)c5ccccc5)c(O)c(O)cc4c3O)c(C)cc2c(C(=O)NCC(C)c2ccccc2)c1C"
} | 5-hydroxy-2,3,7-trimethyl-N-(2-phenylpropyl)-6-[1,6,7-trihydroxy-5-(2-phenylpropylcarbamoyl)naphthalen-2-yl]naphthalene-1-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "5-hydroxy-2,3,7-trimethyl-N-(2-phenylpropyl)-6-[1,6,7-trihydroxy-5-(2-phenylpropylcarbamoyl)naphthalen-2-yl]naphthalene-1-carboxamide",
"role": "assistant"
}
] |
298,869 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][=N][C][=C][S][C][=Branch1][C][=S][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][C][=C][C][Branch1][C][C][Branch1][C][C][C]",
"smiles": "COc1ccc(C=C2SC(=S)NC2=O)cc1C=CC(C)(C)C"
} | (5Z)-5-[[3-[(E)-3,3-dimethylbut-1-enyl]-4-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "(5Z)-5-[[3-[(E)-3,3-dimethylbut-1-enyl]-4-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one",
"role": "assistant"
}
] |
298,870 | {
"selfies": "[O][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][O][Ring1][N][N][=C][Ring2][Ring1][C][N][C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][N][C][C][Ring2][Ring1][Ring1]",
"smiles": "O=C(c1ccc(-c2nc(-c3ccccc3F)no2)nc1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1"
} | [6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "[6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone",
"role": "assistant"
}
] |
298,871 | {
"selfies": "[C][O][C][=C][C][Branch1][=N][O][C][C][C][C][N][C][C][C][C][Ring1][Branch1][=C][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][P]",
"smiles": "COc1cc(OCCCCN2CCCC2)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1"
} | 2-(3,4-dimethoxyphenyl)-3,7-dimethoxy-5-(4-pyrrolidin-1-ylbutoxy)chromen-4-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "2-(3,4-dimethoxyphenyl)-3,7-dimethoxy-5-(4-pyrrolidin-1-ylbutoxy)chromen-4-one",
"role": "assistant"
}
] |
298,872 | {
"selfies": "[C][O][C][=C][C][=C][C][Branch2][Branch1][Ring1][C][C][C][Ring1][Ring1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][O][Ring1][#Branch1][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring2][Ring1]",
"smiles": "COc1cccc(C2CC2(C(=O)NS(=O)(=O)c2cccc3nc(C)ccc23)c2cc(C)ccc2OC)c1"
} | 1-(2-methoxy-5-methylphenyl)-2-(3-methoxyphenyl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "1-(2-methoxy-5-methylphenyl)-2-(3-methoxyphenyl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide",
"role": "assistant"
}
] |
298,873 | {
"selfies": "[C][C][=N][C][=C][N][=C][C][=C][C][Branch2][Ring1][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][=C][C][Ring1][#C][=C][Ring2][Ring1][Ring1][N][Ring2][Ring1][=Branch1][C][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1]",
"smiles": "Cc1nc2cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc3c2n1C1CCCN(C)C1"
} | 2,6-dichloro-4-[2-methyl-1-(1-methylpiperidin-3-yl)imidazo[4,5-c]quinolin-8-yl]phenol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "2,6-dichloro-4-[2-methyl-1-(1-methylpiperidin-3-yl)imidazo[4,5-c]quinolin-8-yl]phenol",
"role": "assistant"
}
] |
298,874 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=Branch2][Ring1][#Branch1][=C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][S][C][Ring2][Ring1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CCOC(=O)C1=C(O)C(=C2CCN(C(=O)OC(C)(C)C)C2)SC1=Nc1ccccc1"
} | tert-butyl (3E)-3-(4-ethoxycarbonyl-3-hydroxy-5-phenyliminothiophen-2-ylidene)pyrrolidine-1-carboxylate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "tert-butyl (3E)-3-(4-ethoxycarbonyl-3-hydroxy-5-phenyliminothiophen-2-ylidene)pyrrolidine-1-carboxylate",
"role": "assistant"
}
] |
298,875 | {
"selfies": "[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=N][N][Branch1][=C][C][=N][C][=Branch1][C][=O][C][Branch1][C][C][S][Ring1][#Branch1][C][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"smiles": "COc1ccc2c(c1)CCC1C2=NN(C2=NC(=O)C(C)S2)C1c1ccc(Cl)cc1"
} | 2-[(3S,3aS)-3-(4-chlorophenyl)-7-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]-5-methyl-1,3-thiazol-4-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "2-[(3S,3aS)-3-(4-chlorophenyl)-7-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]-5-methyl-1,3-thiazol-4-one",
"role": "assistant"
}
] |
298,876 | {
"selfies": "[C][C][Branch2][Ring1][O][O][C][C][=C][C][Branch1][S][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][=N][O][Ring1][=C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]",
"smiles": "CC(OCc1cc(-c2c(F)cc(F)cc2F)no1)C(O)(Cn1cncn1)c1ccc(F)cc1F"
} | (2R,3R)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]methoxy]butan-2-ol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "(2R,3R)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]methoxy]butan-2-ol",
"role": "assistant"
}
] |
298,877 | {
"selfies": "[C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][C][O][Branch1][O][C][N][C][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][Ring2][Ring2][=Branch1]",
"smiles": "CC1(C)C(=O)N(c2ccc(N3CC(O)(CNC4CCOCC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21"
} | 2,9-dichloro-7-[4-[3-hydroxy-3-[(oxan-4-ylamino)methyl]azetidin-1-yl]phenyl]-5,5-dimethylpyrido[2,3-d][1]benzazepin-6-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "2,9-dichloro-7-[4-[3-hydroxy-3-[(oxan-4-ylamino)methyl]azetidin-1-yl]phenyl]-5,5-dimethylpyrido[2,3-d][1]benzazepin-6-one",
"role": "assistant"
}
] |
298,878 | {
"selfies": "[C][O][C][=C][C][Branch2][Ring2][=Branch1][C][=C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][O][O][C][=C][Ring2][Ring1][Ring1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N]",
"smiles": "COc1cc(C=Cc2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2)cc(OC)c1"
} | (2S,3S,4S,5R,6S)-6-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "(2S,3S,4S,5R,6S)-6-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",
"role": "assistant"
}
] |
298,879 | {
"selfies": "[C][C][C][Branch1][C][Br][=C][N][Branch2][Ring2][S][C][C][=C][N][Branch2][Ring2][Ring2][C][C][C][N][C][Branch1][C][C][=C][Branch1][C][Br][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][Ring2][Ring1][C][=O][N][=N][Ring2][Ring1][O][C][=Branch1][C][=O][C][=Ring2][Ring2][Ring2][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][#Branch1]",
"smiles": "Cc1c(Br)cn(Cc2cn(CCCn3c(C)c(Br)cc(C(=O)NC4CCCCCC4)c3=O)nn2)c(=O)c1NC(=O)C1CCCCCC1"
} | 5-bromo-1-[3-[4-[[5-bromo-3-(cycloheptanecarbonylamino)-4-methyl-2-oxopyridin-1-yl]methyl]triazol-1-yl]propyl]-N-cycloheptyl-6-methyl-2-oxopyridine-3-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "5-bromo-1-[3-[4-[[5-bromo-3-(cycloheptanecarbonylamino)-4-methyl-2-oxopyridin-1-yl]methyl]triazol-1-yl]propyl]-N-cycloheptyl-6-methyl-2-oxopyridine-3-carboxamide",
"role": "assistant"
}
] |
298,880 | {
"selfies": "[C][O][C][=C][C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][N][C][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][NH1][C][Ring2][Ring1][Branch2][=Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][P][O][C]",
"smiles": "COc1cc(Nc2nc(CNCc3cccnc3)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC"
} | 3-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "3-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine",
"role": "assistant"
}
] |
298,881 | {
"selfies": "[C][N][C][C][=N][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch1]",
"smiles": "CN1Cc2nn(Cc3cccc(F)c3)c(-c3ccccc3F)c2C1"
} | 3-(2-fluorophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "3-(2-fluorophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole",
"role": "assistant"
}
] |
298,882 | {
"selfies": "[C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][Ring1][S][C][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][O][Ring1][=Branch2]",
"smiles": "CC(=O)OC1CC2(C)c3cc(C)c(O)cc3C(C)=CC(=O)C2C2(C)CCCC(C)(C)C12"
} | [(1S,11R,12S,17S,18S)-5-hydroxy-1,4,8,12,16,16-hexamethyl-10-oxo-18-tetracyclo[9.8.0.02,7.012,17]nonadeca-2(7),3,5,8-tetraenyl] acetate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "[(1S,11R,12S,17S,18S)-5-hydroxy-1,4,8,12,16,16-hexamethyl-10-oxo-18-tetracyclo[9.8.0.02,7.012,17]nonadeca-2(7),3,5,8-tetraenyl] acetate",
"role": "assistant"
}
] |
298,883 | {
"selfies": "[C][#C][C][N][C][=Branch1][C][=O][C][Branch2][Branch2][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][O][C][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][O][C][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][Ring1][=N]",
"smiles": "C#CCNC(=O)C(CCCCNC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(CO)NC(=O)CCN1c2ccccc2C(C)(C)C12CCc1cc([N+](=O)[O-])ccc1O2)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(CO)NC(=O)CCN1c2ccccc2C(C)(C)C12CCc1cc([N+](=O)[O-])ccc1O2"
} | (2S)-N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(5S)-5-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[5-amino-2-[[(2S)-2-[3-[(2R)-3',3'-dimethyl-6-nitrospiro[3,4-dihydrochromene-2,2'-indole]-1'-yl]propanoylamino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-oxo-6-(prop-2-ynylamino)hexyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-2-[[(2S)-2-[3-[(2R)-3',3'-dimethyl-6-nitrospiro[3,4-dihydrochromene-2,2'-indole]-1'-yl]propanoylamino]-3-hydroxypropanoyl]amino]pentanediamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "(2S)-N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(5S)-5-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[5-amino-2-[[(2S)-2-[3-[(2R)-3',3'-dimethyl-6-nitrospiro[3,4-dihydrochromene-2,2'-indole]-1'-yl]propanoylamino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-oxo-6-(prop-2-ynylamino)hexyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-2-[[(2S)-2-[3-[(2R)-3',3'-dimethyl-6-nitrospiro[3,4-dihydrochromene-2,2'-indole]-1'-yl]propanoylamino]-3-hydroxypropanoyl]amino]pentanediamide",
"role": "assistant"
}
] |
298,884 | {
"selfies": "[O][=C][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][N][C][C][C][N][Ring2][Ring1][P]",
"smiles": "O=C1CCc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)CC(=O)NCCCCNCCCN1"
} | (17R)-17-(3,4-dihydroxyphenyl)-20,21-dihydroxy-5,9,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-4,15-dione | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "(17R)-17-(3,4-dihydroxyphenyl)-20,21-dihydroxy-5,9,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-4,15-dione",
"role": "assistant"
}
] |
298,885 | {
"selfies": "[O][=C][Branch1][#C][N][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1]",
"smiles": "O=C(NCCc1cccc(Cl)c1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12"
} | 3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)ethyl]-4-oxophthalazine-1-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)ethyl]-4-oxophthalazine-1-carboxamide",
"role": "assistant"
}
] |
298,886 | {
"selfies": "[C][C][C][C][C][=N][C][Branch1][C][Cl][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][N][Ring2][Ring1][Ring1][C]",
"smiles": "CCCCc1nc(Cl)c(C2NC(=O)NC(C)=C2C(=O)OCC)n1C"
} | ethyl 4-(2-butyl-5-chloro-3-methylimidazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "ethyl 4-(2-butyl-5-chloro-3-methylimidazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate",
"role": "assistant"
}
] |
298,887 | {
"selfies": "[O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][F][C][C][N][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]",
"smiles": "O=C(NCc1cccs1)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CCN1c1ccc(Cl)c(Cl)c1"
} | (2S)-1-(3,4-dichlorophenyl)-4-(2-fluoro-5-nitrobenzoyl)-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "(2S)-1-(3,4-dichlorophenyl)-4-(2-fluoro-5-nitrobenzoyl)-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide",
"role": "assistant"
}
] |
298,888 | {
"selfies": "[C][C][N][C][=Branch2][Branch2][C][=C][C][=C][C][=C][C][=N+1][Branch2][Branch1][=C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][=C][N][Branch2][Ring2][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][N][Branch1][Ring1][C][#N][C][Ring1][#Branch1][S][C][=Ring1][#C][C][Ring2][Ring1][Ring1][N][=N][Ring2][Ring1][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][Ring2][Branch1][Ring1][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][=C][Ring1][#Branch2][Ring2][=Branch1][=Branch2]",
"smiles": "CCN1C(=CC=CC=CC2=[N+](CCCCCC(=O)NCCCc3cn(CC(=O)N4CCc5nc(NC(=O)C6CCN(C#N)C6)sc5C4)nn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21"
} | (2E)-2-[(2E,4E)-5-[1-[6-[3-[1-[2-[2-[[(3R)-1-cyanopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-oxoethyl]triazol-4-yl]propylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "(2E)-2-[(2E,4E)-5-[1-[6-[3-[1-[2-[2-[[(3R)-1-cyanopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-oxoethyl]triazol-4-yl]propylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid",
"role": "assistant"
}
] |
298,889 | {
"selfies": "[C][C][=Branch1][C][=O][N][N][=C][C][=C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][=C][C][C][C][Branch2][Ring2][N][C][C][C][Branch1][C][C][C][Branch2][Ring1][=Branch2][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][C][Ring2][Ring1][#Branch2][Ring2][Ring1][=Branch1][C][Ring2][Ring1][=C][Branch1][C][C][C][Ring2][Ring2][Branch1]",
"smiles": "CC(=O)n1ncc2c1C(C)(C)C1=CCC3C(CCC4(C)C(C(C)CCC(=O)Nc5nc6ccccc6s5)CCC34)C1(C)C2"
} | (4R)-4-[(1S,2R,13S,14S,17R,18R)-7-acetyl-2,9,9,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-17-yl]-N-(1,3-benzothiazol-2-yl)pentanamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "(4R)-4-[(1S,2R,13S,14S,17R,18R)-7-acetyl-2,9,9,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-17-yl]-N-(1,3-benzothiazol-2-yl)pentanamide",
"role": "assistant"
}
] |
298,890 | {
"selfies": "[C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][C][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][#Branch2][O][C][Branch1][C][C][Branch1][Ring1][O][C][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C][N][Branch2][Ring2][Ring2][C][C][C][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][O][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][O][C][Ring2][Branch1][=N][Ring2][Ring1][O][C]",
"smiles": "CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCC#Cc3ccc4c(c3)c(=O)c(C(=O)O)cn4C3CC3)C(=O)OC12C"
} | 1-cyclopropyl-6-[4-[(1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-15-yl]but-1-ynyl]-4-oxoquinoline-3-carboxylic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "1-cyclopropyl-6-[4-[(1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-15-yl]but-1-ynyl]-4-oxoquinoline-3-carboxylic acid",
"role": "assistant"
}
] |
298,891 | {
"selfies": "[C][=C][C][=Branch1][C][=O][C][C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring1][C][C][C][C][Ring2][Ring1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][Ring2][Ring1][N][Branch1][C][O][O][C][Ring1][=N]",
"smiles": "C=C1C(=O)C23C(OC(=O)C=Cc4ccnc(F)c4)C1CCC2C12CCCC(C)(C)C1CC3(O)OC2"
} | [(1S,2S,5S,8R,9R,11R,18R)-9-hydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-18-yl] (E)-3-(2-fluoropyridin-4-yl)prop-2-enoate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "[(1S,2S,5S,8R,9R,11R,18R)-9-hydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-18-yl] (E)-3-(2-fluoropyridin-4-yl)prop-2-enoate",
"role": "assistant"
}
] |
298,892 | {
"selfies": "[C][C][Branch1][#C][C][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][C][C][C][C][Branch1][C][C][C][C][C][=C][C][Branch2][Ring1][#Branch2][C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][C][Ring1][#C][Branch1][C][C][C][C][Ring2][Ring1][Branch1][Branch1][C][C][C][Branch1][C][O][C][C][Ring2][Ring1][#C][Ring2][Ring1][N][C]",
"smiles": "CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(Cc5cc6cc(Cl)ccc6nc5C4(C)C)C3(C)C(O)CC12C"
} | (3R,6R)-6-[(14R,15R,16R,18R,19R,22S,23S)-8-chloro-16-hydroxy-2,2,15,18,22-pentamethyl-4-azahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosa-1(25),3(12),4,6,8,10-hexaen-19-yl]-2-methylheptane-2,3-diol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "(3R,6R)-6-[(14R,15R,16R,18R,19R,22S,23S)-8-chloro-16-hydroxy-2,2,15,18,22-pentamethyl-4-azahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosa-1(25),3(12),4,6,8,10-hexaen-19-yl]-2-methylheptane-2,3-diol",
"role": "assistant"
}
] |
298,893 | {
"selfies": "[C][N][C][=Branch1][C][=O][C][=N][N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][=C][Ring1][=C][N][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][=C][Ring2][Ring1][=Branch1][O][C]",
"smiles": "CNC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1OC"
} | 6-[(5-fluoropyridin-2-yl)amino]-4-[2-methoxy-3-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "6-[(5-fluoropyridin-2-yl)amino]-4-[2-methoxy-3-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide",
"role": "assistant"
}
] |
298,894 | {
"selfies": "[C][C][C][N][C][C][N][Branch2][Ring2][=Branch2][C][=C][C][=C][C][Branch2][Ring1][=N][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][=C]",
"smiles": "CCCN1CCN(c2cccc(C3CCCCN3C(=O)OCc3cc(Cl)cc(Cl)c3)c2)CC1"
} | (3,5-dichlorophenyl)methyl 2-[3-(4-propylpiperazin-1-yl)phenyl]piperidine-1-carboxylate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "(3,5-dichlorophenyl)methyl 2-[3-(4-propylpiperazin-1-yl)phenyl]piperidine-1-carboxylate",
"role": "assistant"
}
] |
298,895 | {
"selfies": "[C][O][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][S][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1]",
"smiles": "COc1cc(NC(=O)Cn2sc3cc(F)ccc3c2=O)cc(OC)c1"
} | N-(3,5-dimethoxyphenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "N-(3,5-dimethoxyphenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide",
"role": "assistant"
}
] |
298,896 | {
"selfies": "[N][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]",
"smiles": "NC(Cc1cnc[nH]1)C(=O)Nc1cccc(C(F)(F)F)c1"
} | (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide",
"role": "assistant"
}
] |
298,897 | {
"selfies": "[N-1][=N+1][=N][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][=Branch1][C][=O][N][Branch2][Ring2][Ring1][C][C][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]",
"smiles": "[N-]=[N+]=NCCCNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCCC(NC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(C(=O)O)cc1"
} | (2S)-2-[[(1S)-5-[6-[[4-[[(2S)-1-[[(2S)-1-(3-azidopropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoyl]amino]hexanoyl-[(4-carboxyphenyl)methyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "(2S)-2-[[(1S)-5-[6-[[4-[[(2S)-1-[[(2S)-1-(3-azidopropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoyl]amino]hexanoyl-[(4-carboxyphenyl)methyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid",
"role": "assistant"
}
] |
298,898 | {
"selfies": "[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "Cc1ccccc1C(=O)NC(CN)c1ccccc1"
} | N-[(1R)-2-amino-1-phenylethyl]-2-methylbenzamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "N-[(1R)-2-amino-1-phenylethyl]-2-methylbenzamide",
"role": "assistant"
}
] |
298,899 | {
"selfies": "[O][=C][Branch1][Ring1][C][Cl][N][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O]",
"smiles": "O=C(CCl)NC1OC(CO)C(O)C1O"
} | 2-chloro-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "2-chloro-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide",
"role": "assistant"
}
] |
298,900 | {
"selfies": "[C][C][=Branch2][Ring2][#Branch2][=C][C][=C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][Ring1][#Branch1][C][Branch1][Ring1][C][=O][=C][C][C][Ring2][Ring1][Ring1][Ring1][S][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2]",
"smiles": "CC(=CC=CC(C)C1CCC2(C)CC3C(C)=CC(=O)C3C(C=O)=CCC12)COC(=O)C=Cc1cc(F)c(F)c(F)c1"
} | [(2Z,4Z,6S)-6-[(1S,3R,6R,7S,9E,11R)-10-formyl-3,14-dimethyl-12-oxo-6-tricyclo[9.3.0.03,7]tetradeca-9,13-dienyl]-2-methylhepta-2,4-dienyl] (E)-3-(3,4,5-trifluorophenyl)prop-2-enoate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "[(2Z,4Z,6S)-6-[(1S,3R,6R,7S,9E,11R)-10-formyl-3,14-dimethyl-12-oxo-6-tricyclo[9.3.0.03,7]tetradeca-9,13-dienyl]-2-methylhepta-2,4-dienyl] (E)-3-(3,4,5-trifluorophenyl)prop-2-enoate",
"role": "assistant"
}
] |
298,901 | {
"selfies": "[C][C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][O][C][Branch1][C][C][C][Branch2][Ring1][Branch2][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][O][O][C][Branch2][Ring2][=C][C][C][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][C][=C][N][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][=N][Ring1][#C][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Ring2][Branch1][S][C][O]",
"smiles": "CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(N(C)C)C2O)C(CCN(Cc2ccc(N(C)C)cc2)Cc2cn(-c3cnc4ccccc4c3)nn2)CC(C)C(=O)C=CC(C)=CC1CO"
} | (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-[[4-(dimethylamino)phenyl]methyl-[(1-quinolin-3-yltriazol-4-yl)methyl]amino]ethyl]-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-[[4-(dimethylamino)phenyl]methyl-[(1-quinolin-3-yltriazol-4-yl)methyl]amino]ethyl]-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione",
"role": "assistant"
}
] |
298,902 | {
"selfies": "[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][C][Br][=C][Ring2][Ring1][=Branch1]",
"smiles": "CC(C)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c(Br)c1"
} | N-[(2-bromo-4-propan-2-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "N-[(2-bromo-4-propan-2-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide",
"role": "assistant"
}
] |
298,903 | {
"selfies": "[N][C][Branch1][=C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O]",
"smiles": "NC(CCCNCc1ccccc1)CC(=O)O"
} | 3-amino-6-(benzylamino)hexanoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "3-amino-6-(benzylamino)hexanoic acid",
"role": "assistant"
}
] |
298,904 | {
"selfies": "[C][C][N][=C][Branch1][C][N][S][C][=Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Branch1][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]",
"smiles": "Cc1nc(N)sc1-c1ccc(N=C(N)NC(=O)NCc2ccccc2)cc1"
} | 1-[N'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)phenyl]carbamimidoyl]-3-benzylurea | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "1-[N'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)phenyl]carbamimidoyl]-3-benzylurea",
"role": "assistant"
}
] |
298,905 | {
"selfies": "[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][P][C][=C][N][Branch2][Ring2][=Branch1][C][C][N][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][Ring2][Ring1][Ring1][N][=N][Ring2][Ring1][Branch2][C][=N][Ring2][Ring1][=C]",
"smiles": "CS(=O)(=O)Nc1ccc(-c2cn(C3CNC(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)C3)nn2)cn1"
} | (2S,4S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[4-[6-(methanesulfonamido)pyridin-3-yl]triazol-1-yl]pyrrolidine-2-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "(2S,4S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[4-[6-(methanesulfonamido)pyridin-3-yl]triazol-1-yl]pyrrolidine-2-carboxamide",
"role": "assistant"
}
] |
298,906 | {
"selfies": "[O][=C][Branch2][Ring2][=Branch2][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][C][O][C][C][=C][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][=Branch2][=C][Ring1][P][O][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1]",
"smiles": "O=C(NC(c1ccccc1)c1cccc(OCc2cnc(C(=O)O)cn2)c1)OC1CN2CCC1CC2"
} | 5-[[3-[(S)-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxycarbonylamino]-phenylmethyl]phenoxy]methyl]pyrazine-2-carboxylic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "5-[[3-[(S)-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxycarbonylamino]-phenylmethyl]phenoxy]methyl]pyrazine-2-carboxylic acid",
"role": "assistant"
}
] |
298,907 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Branch1][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch2][Ring1][#C][C][Branch1][C][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][Branch2][=O][C][=N][Ring2][Ring1][P]",
"smiles": "COc1ccc(-c2nc3c(s2)CN(C(C)C(O)(Cn2cncn2)c2ccc(F)cc2F)C3=O)cn1"
} | 5-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-2-(6-methoxypyridin-3-yl)-6H-pyrrolo[3,4-d][1,3]thiazol-4-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "5-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-2-(6-methoxypyridin-3-yl)-6H-pyrrolo[3,4-d][1,3]thiazol-4-one",
"role": "assistant"
}
] |
298,908 | {
"selfies": "[O][C][C][O][C][Branch2][Ring2][Branch2][N][C][=N][C][=C][Branch2][Ring1][=Branch1][N][C][C][C][C][C][Ring1][Branch1][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][N][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2][C][Branch1][C][O][C][Ring2][Ring1][=C][O]",
"smiles": "OCC1OC(n2cnc3c(NC4CCCC4OCc4cccc(Cl)c4)ncnc32)C(O)C1O"
} | (2R,3R,4S,5R)-2-[6-[[(1R,2R)-2-[(3-chlorophenyl)methoxy]cyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "(2R,3R,4S,5R)-2-[6-[[(1R,2R)-2-[(3-chlorophenyl)methoxy]cyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol",
"role": "assistant"
}
] |
298,909 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch2][Ring1][=C][C][C][Branch1][C][F][C][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][S][C][Ring2][Ring1][N]",
"smiles": "COc1cc2c(cc1OC)S(=O)(=O)C(CC1(F)CCN(Cc3ccc(F)c(Cl)c3)CC1)C2"
} | 2-[[1-[(3-chloro-4-fluorophenyl)methyl]-4-fluoropiperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydro-1-benzothiophene 1,1-dioxide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "2-[[1-[(3-chloro-4-fluorophenyl)methyl]-4-fluoropiperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydro-1-benzothiophene 1,1-dioxide",
"role": "assistant"
}
] |
298,910 | {
"selfies": "[C][C][C][=Branch1][C][=O][C][C][C][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][N][Branch1][Ring1][C][C][C][C][Ring1][Branch2][C][=N][C][=C][Branch1][P][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][O][C][O][Ring1][P]",
"smiles": "CCC(=O)CCCCCC(NC(=O)C1CC12CCN(CC)CC2)c1ncc(-c2cc3cccnc3nc2OC)o1"
} | (2S)-6-ethyl-N-[(1S)-1-[5-(2-methoxy-1,8-naphthyridin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "(2S)-6-ethyl-N-[(1S)-1-[5-(2-methoxy-1,8-naphthyridin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide",
"role": "assistant"
}
] |
298,911 | {
"selfies": "[N][C][C][C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "NCCCCC(N)C(=O)N1CCCC1C(=O)OC=Cc1ccccc1"
} | [(E)-2-phenylethenyl] (2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carboxylate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "[(E)-2-phenylethenyl] (2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carboxylate",
"role": "assistant"
}
] |
298,912 | {
"selfies": "[O][=C][N][C][=Branch1][C][=S][N][C][=Branch1][C][=O][C][Ring1][Branch2][=C][C][=C][C][Branch2][Ring1][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][=C][C][=C][Ring1][#C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C1NC(=S)NC(=O)C1=Cc1cc(-c2cc(Cl)c(O)c(Cl)c2)ccc1OCc1ccccc1"
} | 5-[[5-(3,5-dichloro-4-hydroxyphenyl)-2-phenylmethoxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "5-[[5-(3,5-dichloro-4-hydroxyphenyl)-2-phenylmethoxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione",
"role": "assistant"
}
] |
298,913 | {
"selfies": "[C][C][=C][C][N][C][C][C][Ring1][=Branch1][C][Branch1][Ring1][C][O][C][Ring1][Branch2][C][C][=C][Ring1][#Branch2][N][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][O][Ring1][#Branch1]",
"smiles": "CC=C1CN2C3CC1C(CO)C2Cc1c3n(O)c2ccc(O)cc12"
} | (1S,12S,13R,14R,15E)-15-ethylidene-3-hydroxy-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "(1S,12S,13R,14R,15E)-15-ethylidene-3-hydroxy-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol",
"role": "assistant"
}
] |
298,914 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Br]",
"smiles": "CC(C)(C)OC(=O)NCCOc1c(Cl)cc(F)cc1Br"
} | tert-butyl N-[2-(2-bromo-6-chloro-4-fluorophenoxy)ethyl]carbamate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "tert-butyl N-[2-(2-bromo-6-chloro-4-fluorophenoxy)ethyl]carbamate",
"role": "assistant"
}
] |
298,918 | {
"selfies": "[C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]",
"smiles": "CC1=NN(c2ccccc2)C(=O)C1(Cc1ccccc1)C(CC(=O)NCc1ccccc1)C(F)(F)F"
} | (3S)-N-benzyl-3-[(4R)-4-benzyl-3-methyl-5-oxo-1-phenylpyrazol-4-yl]-4,4,4-trifluorobutanamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "(3S)-N-benzyl-3-[(4R)-4-benzyl-3-methyl-5-oxo-1-phenylpyrazol-4-yl]-4,4,4-trifluorobutanamide",
"role": "assistant"
}
] |
298,920 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][=Branch1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]",
"smiles": "CCOC(=O)C(O)(c1[nH]c2ccccc2c1-c1ccccc1)C(F)(F)F"
} | ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-(3-phenyl-1H-indol-2-yl)propanoate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-(3-phenyl-1H-indol-2-yl)propanoate",
"role": "assistant"
}
] |
298,921 | {
"selfies": "[C][=C][C][C][C][Branch1][Ring1][C][#N][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring2][Ring1][Ring1][C][C][=C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=N][Ring1][P]",
"smiles": "C=CC1CC(C#N)(C(=O)OC)C(c2ccc(OC)cc2)C12C1C=CC2C2C(=O)N(c3ccccc3)C(=O)C21"
} | methyl (1R,1'S,2S,2'S,4'S,6R,7S)-1'-cyano-4'-ethenyl-2'-(4-methoxyphenyl)-3,5-dioxo-4-phenylspiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,3'-cyclopentane]-1'-carboxylate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "methyl (1R,1'S,2S,2'S,4'S,6R,7S)-1'-cyano-4'-ethenyl-2'-(4-methoxyphenyl)-3,5-dioxo-4-phenylspiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,3'-cyclopentane]-1'-carboxylate",
"role": "assistant"
}
] |
298,922 | {
"selfies": "[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][Ring1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch2]",
"smiles": "Cc1cc(C)cc(C2(C(F)(F)F)CC(c3ccccc3)c3ccccc32)c1"
} | (1R,3S)-3-(3,5-dimethylphenyl)-1-phenyl-3-(trifluoromethyl)-1,2-dihydroindene | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "(1R,3S)-3-(3,5-dimethylphenyl)-1-phenyl-3-(trifluoromethyl)-1,2-dihydroindene",
"role": "assistant"
}
] |
298,923 | {
"selfies": "[Br][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][S]",
"smiles": "Brc1ccccc1C1CC(c2ccccc2)c2ccccc2N1"
} | (2S,4R)-2-(2-bromophenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "(2S,4R)-2-(2-bromophenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline",
"role": "assistant"
}
] |
298,925 | {
"selfies": "[C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch1][C][SiH1][Branch1][C][C][C][C][=C][Ring1][#Branch2]",
"smiles": "CC(C(=O)O)c1ccc(C[SiH](C)C)cc1"
} | (2R)-2-[4-(dimethylsilylmethyl)phenyl]propanoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "(2R)-2-[4-(dimethylsilylmethyl)phenyl]propanoic acid",
"role": "assistant"
}
] |
298,926 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][P][C][=C][C][=N][C][Branch1][#Branch1][S][C][Branch1][C][C][C][=C][Ring1][#Branch2][C][=C][Ring1][S]",
"smiles": "COc1ccc(-c2ccnc(SC(C)C)c2)cc1"
} | 4-(4-methoxyphenyl)-2-propan-2-ylsulfanylpyridine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "4-(4-methoxyphenyl)-2-propan-2-ylsulfanylpyridine",
"role": "assistant"
}
] |
298,927 | {
"selfies": "[Cl][C][=C][C][=C][Branch2][Ring2][=Branch1][C][Branch1][O][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#C]",
"smiles": "Clc1ccc(C(N=Nc2ccccc2)C(N=Nc2ccccc2)c2ccc(Cl)cc2)cc1"
} | [(1R,2S)-1,2-bis(4-chlorophenyl)-2-phenyldiazenylethyl]-phenyldiazene | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "[(1R,2S)-1,2-bis(4-chlorophenyl)-2-phenyldiazenylethyl]-phenyldiazene",
"role": "assistant"
}
] |
298,935 | {
"selfies": "[C][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]",
"smiles": "CN(C)C1CCCCC1N(C)C(=O)Cc1ccc(-c2ccccc2)cc1"
} | N-[2-(dimethylamino)cyclohexyl]-N-methyl-2-(4-phenylphenyl)acetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "N-[2-(dimethylamino)cyclohexyl]-N-methyl-2-(4-phenylphenyl)acetamide",
"role": "assistant"
}
] |
298,936 | {
"selfies": "[C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][Cl][C][Branch2][=Branch2][Ring2][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch2][#Branch1][#C][N][C][=C][C][=C][Branch2][#Branch1][C][N][C][C][N][Branch2][=Branch1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][C][S][C][Branch1][C][C][Branch1][C][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][S][C][=N][C][=Ring1][Branch1][C][C][=C][Ring1][N][C][C][Ring2][Ring2][P][C][=C][Ring2][Branch1][#Branch1][=N][C][=N][Ring2][Branch1][=C][=C][Ring2][=Branch1][N][Cl]",
"smiles": "COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(N4CCN(CC(=O)NCCCCCSC(C)(C)C(NC(C)=O)C(=O)N5CC(O)CC5C(=O)NC(C)c5ccc(-c6scnc6C)cc5)CC4)cc3)ncn2)c1Cl"
} | (2S,4R)-1-[(2S)-2-acetamido-3-[5-[[2-[4-[4-[[6-[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-methylamino]pyrimidin-4-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]pentylsulfanyl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "(2S,4R)-1-[(2S)-2-acetamido-3-[5-[[2-[4-[4-[[6-[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-methylamino]pyrimidin-4-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]pentylsulfanyl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide",
"role": "assistant"
}
] |
298,939 | {
"selfies": "[C][O][C][C][C][C][C][Branch1][Ring1][O][C][C][C][C][C][Branch1][C][O][C][Branch1][Ring1][O][C][C][Branch1][C][O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][Branch2][Ring1][Ring2][C][Ring1][#C][C][Ring1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][C][Branch1][Ring1][O][C][C][Ring2][Ring2][Branch1][Ring2][Ring1][#C][C][Ring2][Ring1][S][N][Branch1][C][C][C][Ring2][Ring2][=Branch2]",
"smiles": "COCC12CCC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C13)C4N(C)C2"
} | [(1S,2R,3R,4R,5S,6S,7S,8R,10R,13S,16S,17R,18R)-8-acetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "[(1S,2R,3R,4R,5S,6S,7S,8R,10R,13S,16S,17R,18R)-8-acetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate",
"role": "assistant"
}
] |
298,940 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][P][=Branch1][C][=O][Branch2][Ring1][N][O][C][C][C][=C][C][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][O][Ring1][#C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "COC(=O)C(C)NP(=O)(OCC1C=CC(n2cnc3c(N)ncnc32)O1)Oc1ccccc1"
} | methyl (2S)-2-[[[(5R)-5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "methyl (2S)-2-[[[(5R)-5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate",
"role": "assistant"
}
] |
298,942 | {
"selfies": "[N][#C][C][N][C][=Branch1][C][=O][C][C][N][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]",
"smiles": "N#CCNC(=O)C1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1C(=O)N1CCOCC1"
} | N-(cyanomethyl)-4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-3-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "N-(cyanomethyl)-4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-3-carboxamide",
"role": "assistant"
}
] |
298,943 | {
"selfies": "[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][O][C][O][C][=C][N][=C][C][=N][N][=C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][Ring2][Ring1][Ring1][Ring1][#C]",
"smiles": "COc1ccccc1C(CO)COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12"
} | 3-[[3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]oxy]-2-(2-methoxyphenyl)propan-1-ol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "3-[[3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]oxy]-2-(2-methoxyphenyl)propan-1-ol",
"role": "assistant"
}
] |
298,944 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][O][N][Ring2][Ring1][=Branch1][C][C][=C][Ring2][Ring1][=N]",
"smiles": "COc1ccc(-c2nc(C)c(CCOc3ccc4c(c3)CCC4CC(=O)O)n2C)cc1"
} | 2-[5-[2-[2-(4-methoxyphenyl)-3,5-dimethylimidazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "2-[5-[2-[2-(4-methoxyphenyl)-3,5-dimethylimidazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid",
"role": "assistant"
}
] |
298,945 | {
"selfies": "[C][C][C][C][=C][N][C][=C][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][N][C][C][C][N][Branch2][Ring2][Ring1][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][Branch1][C][C][Ring1][#C][C][C][Ring2][Ring1][O]",
"smiles": "CCc1ccn2ccnc2c1N1CCCN(C(CC(N)=O)C2CCN(C(=O)C3CC4CCC3O4)CC2)CC1"
} | 3-[4-(7-ethylimidazo[1,2-a]pyridin-8-yl)-1,4-diazepan-1-yl]-3-[1-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]propanamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "3-[4-(7-ethylimidazo[1,2-a]pyridin-8-yl)-1,4-diazepan-1-yl]-3-[1-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]propanamide",
"role": "assistant"
}
] |
298,946 | {
"selfies": "[C][C][C][Branch1][C][C][C][Branch3][Ring1][=C][=N][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch3][Ring1][#Branch2][Ring2][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch3][Ring1][Ring2][=N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch2][#C][Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][C][=Branch1][=Branch1][=N+1][Branch1][C][C][C][C][=C][Ring1][=Branch2][O][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch2][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Ring2][Ring1][=N][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][#Branch1][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C]",
"smiles": "CCC(C)C(NC(=O)C(C)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)CNC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)[O-])c1)C(C)C)C(C)C)C(C)C)C(=O)NC(C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C(C)C)C(C)C)C(C)C)C(C)CC"
} | 5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[[2-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[[2-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate",
"role": "assistant"
}
] |
298,947 | {
"selfies": "[C][C][C][Branch1][C][C][C][Branch2][P][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch2][N][#Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][S][S][C][C][Branch2][=Branch1][S][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][Ring2][#Branch1][N][C][Branch1][C][C][C][C][Branch1][C][N][=O]",
"smiles": "CCC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(C)NC(=O)C1CSSCC(NC(=O)C(CCSC)NC(=O)C2CCCN2C(=O)C(NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(N)Cc2ccc(O)cc2)C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)N1)C(C)C)C(N)=O"
} | 3-[22-[[2-[[1-[2-[[5-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[1-[[1-[[1-[[6-amino-1-[[2-[[1-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-7-(3-amino-3-oxopropyl)-19-(carboxymethyl)-16-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-10-yl]propanoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "3-[22-[[2-[[1-[2-[[5-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[1-[[1-[[1-[[6-amino-1-[[2-[[1-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-7-(3-amino-3-oxopropyl)-19-(carboxymethyl)-16-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-10-yl]propanoic acid",
"role": "assistant"
}
] |
298,948 | {
"selfies": "[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Branch1][C][O][C][=C][C][Ring1][#Branch2][Ring1][#Branch1][C][C][N][Branch2][Ring2][Branch2][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][C][C][C][C][C][Ring1][=Branch1][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C][C][=C][Ring2][Ring1][C][C][Ring2][Ring2][Branch2]",
"smiles": "COc1ccc2c3c1OC1CC(O)C=CC31CCN(CCCCCCOc1ccc(CNC3CC4CCC3(C)C4(C)C)cc1)C2"
} | 9-methoxy-4-[6-[4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]hexyl]-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "9-methoxy-4-[6-[4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]hexyl]-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol",
"role": "assistant"
}
] |
298,949 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Branch1][#Branch2][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][C][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1][Ring2][Ring2][C][C][=C][Ring2][Ring2][Branch2]",
"smiles": "COc1ccc(C2c3[nH]c4ccccc4c3CC3C(=O)N(CCC4CCN(Cc5ccccc5)CC4)CC(=O)N32)cc1"
} | 6-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(4-methoxyphenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "6-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(4-methoxyphenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",
"role": "assistant"
}
] |
298,950 | {
"selfies": "[C][C][C][Branch1][C][C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch2][#Branch2][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][Branch2][=Branch1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][C][Branch1][C][C][O][=C][C][=C][Ring2][Ring2][P][C][Ring2][Branch1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Branch1][C][C][O]",
"smiles": "CCC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)Nc1ccc2c(c1)Oc1cc(NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)OCc3ccccc3)C(C)CC)C(C)O)ccc1C21OC(=O)c2ccccc21)C(C)O"
} | 5-[[1-[[3-carboxy-1-[[6'-[[3-carboxy-2-[[2-[[4-carboxy-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]butanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "5-[[1-[[3-carboxy-1-[[6'-[[3-carboxy-2-[[2-[[4-carboxy-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]butanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoic acid",
"role": "assistant"
}
] |
298,951 | {
"selfies": "[C][C][=Branch2][Ring1][Ring1][=N][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][=N][C][=C][S][Ring1][Branch1]",
"smiles": "CC(=NOC(=O)c1cc(F)ccc1F)c1nccs1"
} | [(Z)-1-(1,3-thiazol-2-yl)ethylideneamino] 2,5-difluorobenzoate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino] 2,5-difluorobenzoate",
"role": "assistant"
}
] |
298,952 | {
"selfies": "[C][C][NH1][C][Branch2][Ring2][O][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][C][Ring2][Ring1][=Branch1][=C][Branch1][C][C][C][=Ring2][Ring1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][#C][=O]",
"smiles": "Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)NCCOCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O"
} | 5-[(Z)-[5-[(2,6-dichlorophenyl)methylsulfonyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "5-[(Z)-[5-[(2,6-dichlorophenyl)methylsulfonyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide",
"role": "assistant"
}
] |
298,953 | {
"selfies": "[C][C][N][C][C][N][Branch2][#Branch2][#Branch2][C][C][=C][C][=C][Branch2][=Branch2][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Branch2][Ring2][C][=C][C][=C][N][=C][Branch2][#Branch1][C][N][C][=Branch1][C][=O][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][N][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring2][Branch1][O][=N][Ring2][Branch1][#C][=C][Ring2][=Branch1][Branch1][C][=C][Ring2][=Branch1][=C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][#Branch1][=Branch2]",
"smiles": "CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NC(=O)COCCOCCOCCNC(=O)C(NC(=O)C6CCCN6C(=O)C(NC(=O)C(C)NC)C6CCCCC6)C(c6ccccc6)c6ccccc6)sc5n4)c3)cc2C(F)(F)F)CC1"
} | 1-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-N-[1-[2-[2-[2-[2-[[5-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-1-oxo-3,3-diphenylpropan-2-yl]pyrrolidine-2-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "1-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-N-[1-[2-[2-[2-[2-[[5-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-1-oxo-3,3-diphenylpropan-2-yl]pyrrolidine-2-carboxamide",
"role": "assistant"
}
] |
298,954 | {
"selfies": "[O][=C][Branch2][Branch1][N][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=C][=O][N][C][C][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl]",
"smiles": "O=C(CCOCCOCCOCCOCCOCCOCCC(=O)NCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCOC(=O)NC(Nc1ncccn1)C(Cl)(Cl)Cl"
} | 3-[3-[2-[2-[2-[2-[2-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propyl N-[2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "3-[3-[2-[2-[2-[2-[2-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propyl N-[2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate",
"role": "assistant"
}
] |
298,955 | {
"selfies": "[C][C][N][=C][S][C][=Ring1][Branch1][C][=C][C][=C][Branch2][#Branch1][Branch2][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][F][C][C][Ring1][Ring2][C][Branch1][C][C][Branch1][C][C][S][C][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=C][=O][C][=C][Ring2][Branch1][O]",
"smiles": "Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2(F)CC2)C(C)(C)SCCCCC(=O)NCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1"
} | 1-[3-[5-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-5-oxopentyl]sulfanyl-2-[(1-fluorocyclopropanecarbonyl)amino]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "1-[3-[5-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-5-oxopentyl]sulfanyl-2-[(1-fluorocyclopropanecarbonyl)amino]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide",
"role": "assistant"
}
] |
298,956 | {
"selfies": "[C][C][C][C][Branch2][Branch2][Ring1][C][O][C][=N][C][=C][Branch2][=Branch1][Ring2][C][#C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][S][C][=N][C][=Ring1][Branch1][C][C][=C][Ring1][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][Ring1][O][C][C][=C][Ring2][Branch1][O][Ring1][O][N][C][=Branch1][C][=O][C][Ring2][=Branch1][Ring1][F]",
"smiles": "CCC1C(COc2ncc(C#CCCCCCCCCCCC(=O)NC(C(=O)N3CC(O)CC3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)c3cc(C(N)=O)c(OC)cc23)NC(=O)C1F"
} | 1-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-4-[13-[[1-[4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-13-oxotridec-1-ynyl]-7-methoxyisoquinoline-6-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "1-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-4-[13-[[1-[4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-13-oxotridec-1-ynyl]-7-methoxyisoquinoline-6-carboxamide",
"role": "assistant"
}
] |
298,957 | {
"selfies": "[N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=N][N][Ring2][Ring1][C][C][C][C][C][N][Branch2][Branch1][Branch2][C][=Branch1][C][=O][C][=C][N][Branch2][Ring2][=Branch2][C][C][O][C][C][O][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=C][=O][N][=N][Ring2][Ring1][P][C][Ring2][Ring2][=Branch2]",
"smiles": "Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCN(C(=O)c2cn(CCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)C1"
} | 4-[2-[2-[2-[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "4-[2-[2-[2-[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione",
"role": "assistant"
}
] |
298,958 | {
"selfies": "[C][C][C][C][C][C][=C][C][C][=C][C][C][=C][C][C][=C][C][C][C][C][=Branch1][C][=O][O][C]",
"smiles": "CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC"
} | methyl (5Z,8E,11Z,14Z)-icosa-5,8,11,14-tetraenoate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "methyl (5Z,8E,11Z,14Z)-icosa-5,8,11,14-tetraenoate",
"role": "assistant"
}
] |
298,959 | {
"selfies": "[C][C][Branch1][C][C][C][C][Branch1][#Branch1][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl][=N][N][Ring1][=C][C][C][C][Ring2][Ring1][Branch1]",
"smiles": "CC(C)CC(N=C(N)N)C(=O)NCC(=O)N1CCC(c2cc(-c3ccc(O)c(Cl)c3Cl)nn2C)CC1"
} | 2-(diaminomethylideneamino)-N-[2-[4-[5-(2,3-dichloro-4-hydroxyphenyl)-2-methylpyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]-4-methylpentanamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "2-(diaminomethylideneamino)-N-[2-[4-[5-(2,3-dichloro-4-hydroxyphenyl)-2-methylpyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]-4-methylpentanamide",
"role": "assistant"
}
] |
298,961 | {
"selfies": "[C][C][O][C][=C][C][=N][C][=N][C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][#C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][C][F][=C][C][N][C][C][C][C][C][Ring1][=Branch1]",
"smiles": "CCOc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c2cc1NC(=O)C(F)=CCN1CCCCC1"
} | N-[4-[3-chloro-4-(6-methylpyridin-3-yl)oxyanilino]-7-ethoxyquinazolin-6-yl]-2-fluoro-4-piperidin-1-ylbut-2-enamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "N-[4-[3-chloro-4-(6-methylpyridin-3-yl)oxyanilino]-7-ethoxyquinazolin-6-yl]-2-fluoro-4-piperidin-1-ylbut-2-enamide",
"role": "assistant"
}
] |
298,969 | {
"selfies": "[C][=C][C][=Branch2][Ring2][C][=C][C][=C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C][Ring1][=Branch1][C][Branch1][C][C][C][C][C][Branch1][C][O][C][Branch1][C][C][C][C][C][Branch1][C][O][C][C][Ring2][Ring1][N][O]",
"smiles": "C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)CCC(O)C(C)C)CC(O)CC1O"
} | (1R,3S)-5-[2-[(1R,3aS,7aS)-1-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "(1R,3S)-5-[2-[(1R,3aS,7aS)-1-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol",
"role": "assistant"
}
] |
298,970 | {
"selfies": "[C][=C][C][C][C][N][N][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"smiles": "C=CCCCn1nc(C(=O)NC(C(N)=O)C(C)(C)C)cc1-c1ccc(F)cc1"
} | N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-5-(4-fluorophenyl)-1-pent-4-enylpyrazole-3-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-5-(4-fluorophenyl)-1-pent-4-enylpyrazole-3-carboxamide",
"role": "assistant"
}
] |
298,972 | {
"selfies": "[C][C][C][Branch1][C][C][C][Branch2][Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][#Branch1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][C][Branch1][C][C][C][C]",
"smiles": "CCC(C)C(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(NC(=O)C(CCC(N)=O)NC(=O)CN)C(C)C)C(=O)NC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)O)C(C)CC)C(C)CC"
} | 2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[2-[[2-[[2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[2-[[2-[[2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoic acid",
"role": "assistant"
}
] |
298,973 | {
"selfies": "[C][C][Branch1][C][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][C][C][C][C][=C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][C][N][C][Ring1][Branch1][=O][C][=Branch1][C][=O][S][=Branch1][C][=O][=Branch1][C][=O][O]",
"smiles": "CC(C)CC(NC(=O)OCC1CC2C=CCC(C2)C1)C(=O)NC(CC1CCNC1=O)C(=O)S(=O)(=O)O"
} | 2-[[2-(3-bicyclo[3.3.1]non-6-enylmethoxycarbonylamino)-4-methylpentanoyl]amino]-1-oxo-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "2-[[2-(3-bicyclo[3.3.1]non-6-enylmethoxycarbonylamino)-4-methylpentanoyl]amino]-1-oxo-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid",
"role": "assistant"
}
] |
298,974 | {
"selfies": "[C][=C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][Branch3][Ring1][C][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][=C][C][C][C][C][Branch1][C][C][Branch2][=Branch2][P][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][Branch1][C][C][C][C][N][C][Ring2][Branch2][S][=O][C][Branch1][C][C][C][C]",
"smiles": "C=CC(=O)NCC(NC(=O)C(NC(C)=O)C(C)CC)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC1(C)CCCC=CCCCC(C)(C(=O)NC(Cc2ccccc2)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(C(C)CC)NC1=O)C(C)CC"
} | 4-[[2-[2-[[2-[[2-[(2-acetamido-3-methylpentanoyl)amino]-3-(prop-2-enoylamino)propanoyl]amino]-3-methylpentanoyl]amino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-5-[[1-[[1-[[21-[[1-[[4-amino-1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-9-butan-2-yl-3-(carboxymethyl)-12,21-dimethyl-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohenicos-16-en-12-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "4-[[2-[2-[[2-[[2-[(2-acetamido-3-methylpentanoyl)amino]-3-(prop-2-enoylamino)propanoyl]amino]-3-methylpentanoyl]amino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-5-[[1-[[1-[[21-[[1-[[4-amino-1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-9-butan-2-yl-3-(carboxymethyl)-12,21-dimethyl-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohenicos-16-en-12-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid",
"role": "assistant"
}
] |
298,975 | {
"selfies": "[C][C][=Branch1][C][=O][O][C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][C][C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch2][C][Branch1][C][C][C][C][C][C][Branch2][Ring2][Branch1][C][C][O][C][Ring1][Ring1][C][Branch1][#C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch1][Ring1][P][C][C][Ring2][Ring2][#Branch2][Ring2][Ring1][N][O]",
"smiles": "CC(=O)OC1C=C(C(C)C2CC(C)=C(C)C(=O)O2)C2(C)CCC3C(CC4OC45C(OC(=O)C=Cc4ccco4)C=CC(=O)C35C)C12O"
} | [13-acetyloxy-15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-12-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-4,14-dien-6-yl] 3-(furan-2-yl)prop-2-enoate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "[13-acetyloxy-15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-12-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-4,14-dien-6-yl] 3-(furan-2-yl)prop-2-enoate",
"role": "assistant"
}
] |
298,976 | {
"selfies": "[C][C][C][Branch1][C][C][C][Branch2][N][#Branch2][N][=C][Branch1][C][O][C][Branch1][Ring1][C][S][N][=C][Branch1][C][O][C][Branch2][O][C][N][=C][Branch1][C][O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][=C][Branch1][C][O][C][Branch1][Branch2][C][C][C][=Branch1][C][=N][O][N][=C][Branch1][C][O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][=C][Branch1][C][O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][=C][Branch1][C][O][C][N][=C][Branch1][C][O][C][Branch1][C][C][N][=C][Branch1][C][O][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][=C][Branch1][C][O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][=C][Branch1][C][O][C][Branch1][Ring1][C][S][N][=C][Branch1][C][O][C][Branch1][C][N][C][Branch1][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C]",
"smiles": "CCC(C)C(N=C(O)C(CS)N=C(O)C(N=C(O)C(Cc1c[nH]c2ccccc12)N=C(O)C(CCC(=N)O)N=C(O)C(CC(=O)O)N=C(O)C(Cc1c[nH]c2ccccc12)N=C(O)CN=C(O)C(C)N=C(O)C(Cc1cnc[nH]1)N=C(O)C(CCCNC(=N)N)N=C(O)C(CS)N=C(O)C(N)C(C)O)C(C)C)C(=O)OC"
} | (3S)-3-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-amino-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-sulfanylpropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-4-[(2S)-1,5-dihydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-methoxy-3-methyl-1-oxopentan-2-yl]imino-3-sulfanylpropan-2-yl]imino-3-methylbutan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-5-iminopentan-2-yl]imino-4-hydroxybutanoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "(3S)-3-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-amino-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-sulfanylpropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-4-[(2S)-1,5-dihydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-methoxy-3-methyl-1-oxopentan-2-yl]imino-3-sulfanylpropan-2-yl]imino-3-methylbutan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-5-iminopentan-2-yl]imino-4-hydroxybutanoic acid",
"role": "assistant"
}
] |
298,977 | {
"selfies": "[C][C][N][=C][Branch1][C][O][C][C][S][S][C][C][N][=C][Branch1][C][O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][=C][Branch1][C][O][C][Branch1][Ring1][C][O][N][=C][Branch1][C][O][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][=C][Branch1][C][O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][=C][Branch1][C][O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][=C][Branch1][C][O][C][Branch1][P][C][S][S][C][C][Branch1][C][N][C][Branch1][C][O][=N][Ring2][Branch1][P][N][=C][Branch1][C][O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][=C][Branch1][C][O][C][Branch1][=Branch1][C][C][C][C][N][N][=C][Branch1][C][O][C][Branch1][Ring1][C][O][N][=C][Branch1][C][O][C][Branch1][Ring1][C][O][N][=C][Branch1][C][O][C][Branch2][Ring1][Ring1][C][S][S][C][C][Branch1][=Branch1][C][=Branch1][C][=N][O][N][=C][Ring2][Branch2][=N][O][N][=C][Ring2][=Branch2][=Branch2][O]",
"smiles": "CC1N=C(O)C2CSSCC3N=C(O)C(CCCNC(=N)N)N=C(O)C(CO)N=C(O)C(Cc4cnc[nH]4)N=C(O)C(CC(=O)O)N=C(O)C(CCCNC(=N)N)N=C(O)C(CSSCC(N)C(O)=N2)N=C(O)C(Cc2c[nH]c4ccccc24)N=C(O)C(CCCCN)N=C(O)C(CO)N=C(O)C(CO)N=C(O)C(CSSCC(C(=N)O)N=C3O)N=C1O"
} | 2-[(1R,6R,9S,12S,15S,18S,21S,24R,27S,30S,33S,36S,39R,42R,47R,56R)-47-amino-30-(4-aminobutyl)-9,21-bis(3-carbamimidamidopropyl)-8,11,14,17,20,23,26,29,32,35,38,41,44,46,58-pentadecahydroxy-56-(C-hydroxycarbonimidoyl)-12,33,36-tris(hydroxymethyl)-15-(1H-imidazol-5-ylmethyl)-27-(1H-indol-3-ylmethyl)-42-methyl-3,4,49,50,53,54-hexathia-7,10,13,16,19,22,25,28,31,34,37,40,43,45,57-pentadecazatricyclo[22.20.7.76,39]octapentaconta-7,10,13,16,19,22,25,28,31,34,37,40,43,45,57-pentadecaen-18-yl]acetic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "2-[(1R,6R,9S,12S,15S,18S,21S,24R,27S,30S,33S,36S,39R,42R,47R,56R)-47-amino-30-(4-aminobutyl)-9,21-bis(3-carbamimidamidopropyl)-8,11,14,17,20,23,26,29,32,35,38,41,44,46,58-pentadecahydroxy-56-(C-hydroxycarbonimidoyl)-12,33,36-tris(hydroxymethyl)-15-(1H-imidazol-5-ylmethyl)-27-(1H-indol-3-ylmethyl)-42-methyl-3,4,49,50,53,54-hexathia-7,10,13,16,19,22,25,28,31,34,37,40,43,45,57-pentadecazatricyclo[22.20.7.76,39]octapentaconta-7,10,13,16,19,22,25,28,31,34,37,40,43,45,57-pentadecaen-18-yl]acetic acid",
"role": "assistant"
}
] |
298,978 | {
"selfies": "[C][C][Branch1][C][C][N][C][C][=C][C][=C][Branch2][O][O][C][C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][C][N][C][S][S][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][O][N][C][Ring2][#Branch1][=N][=O][C][=C][Ring2][Branch2][Branch1]",
"smiles": "CC(C)NCc1ccc(CC2NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc3ccccc3)NC(=O)C(Cc3ccccc3)NC(=O)C(CCCCN)NC(=O)C(N)CSSCC(C(=O)O)NC(=O)C(CO)N(C)C(=O)C(C(C)O)NC(=O)C(Cc3ccccc3)NC(=O)C(C(C)O)NC2=O)cc1"
} | 34-amino-31-(4-aminobutyl)-13,25,28-tribenzyl-10,16-bis(1-hydroxyethyl)-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-8-methyl-6,9,12,15,18,21,24,27,30,33-decaoxo-19-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carboxylic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "34-amino-31-(4-aminobutyl)-13,25,28-tribenzyl-10,16-bis(1-hydroxyethyl)-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-8-methyl-6,9,12,15,18,21,24,27,30,33-decaoxo-19-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carboxylic acid",
"role": "assistant"
}
] |
Subsets and Splits