id
int64 0
300k
| molecules
dict | ground_truth
stringlengths 7
2.47k
| messages
listlengths 3
3
|
---|---|---|---|
298,736 | {
"selfies": "[C][O][C][=C][C][Branch2][Ring2][P][C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=Branch1][O][C][C][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring1][C][C][C][Ring2][Ring1][#Branch2][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring2][Ring2][Ring2]",
"smiles": "COc1cc(C2(NC(=O)c3cc(OCC4CCN4C(=O)OC(C)(C)C)ccc3C)CC2)c2cccnc2c1"
} | tert-butyl (2S)-2-[[3-[[1-(7-methoxyquinolin-5-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]methyl]azetidine-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": "tert-butyl (2S)-2-[[3-[[1-(7-methoxyquinolin-5-yl)cyclopropyl]carbamoyl]-4-methylphenoxy]methyl]azetidine-1-carboxylate",
"role": "assistant"
}
] |
298,737 | {
"selfies": "[O][=C][Branch2][Ring1][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][O][C][C][C][O][C][=C][S][C][=C][Ring1][Branch1][O][Ring1][=Branch2][N][C][C][O][C][C][O][C][C][C][C][C][C][Cl]",
"smiles": "O=C(CCOCCNC(=O)COCC1COc2cscc2O1)NCCOCCOCCCCCCCl"
} | N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-3-[2-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetyl]amino]ethoxy]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": "N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-3-[2-[[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetyl]amino]ethoxy]propanamide",
"role": "assistant"
}
] |
298,738 | {
"selfies": "[C][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch2][Ring1][=N][C][=N][N][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][=N][C][=C][Ring1][P][C][C][C][Ring2][Ring1][=Branch2]",
"smiles": "Cc1cnc2c(c1)CN(c1nn3cc(C(=O)N4CCCCC4)nc3cc1C)CC2"
} | [7-methyl-6-(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)imidazo[1,2-b]pyridazin-2-yl]-piperidin-1-ylmethanone | [
{
"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": "[7-methyl-6-(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)imidazo[1,2-b]pyridazin-2-yl]-piperidin-1-ylmethanone",
"role": "assistant"
}
] |
298,739 | {
"selfies": "[C][C][=C][C][Branch1][Ring1][C][#N][=C][N][=C][Ring1][Branch2][N][C][C][C][=N][C][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][=C][Ring1][#Branch2][C][Ring1][=C]",
"smiles": "Cc1cc(C#N)cnc1N1CCc2ncc(C3CCC3)cc2C1"
} | 6-(3-cyclobutyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyridine-3-carbonitrile | [
{
"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": "6-(3-cyclobutyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyridine-3-carbonitrile",
"role": "assistant"
}
] |
298,740 | {
"selfies": "[C][C][=C][Branch1][C][Cl][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][O][N][C][C][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][=C]",
"smiles": "Cc1c(Cl)nc(C(F)(F)F)nc1N1CCc2ncc(C(F)(F)F)cc2C1"
} | 6-[6-chloro-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine | [
{
"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": "6-[6-chloro-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine",
"role": "assistant"
}
] |
298,741 | {
"selfies": "[C][C][=C][Branch1][Ring1][C][#N][N][=N][C][Branch2][Ring2][=Branch1][N][C][C][C][=N][C][=C][Branch2][Ring1][Ring1][N][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][=C][C]",
"smiles": "Cc1c(C#N)nnc(N2CCc3ncc(N4CCOC(c5cccnc5)C4)cc3C2)c1C"
} | 4,5-dimethyl-6-[3-(2-pyridin-3-ylmorpholin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridazine-3-carbonitrile | [
{
"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": "4,5-dimethyl-6-[3-(2-pyridin-3-ylmorpholin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridazine-3-carbonitrile",
"role": "assistant"
}
] |
298,742 | {
"selfies": "[C][=C][C][=C][Branch1][Ring2][O][C][C][C][=Branch1][C][=C][F]",
"smiles": "C=CC=C(OCC)C(=C)F"
} | (3E)-3-ethoxy-2-fluorohexa-1,3,5-triene | [
{
"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": "(3E)-3-ethoxy-2-fluorohexa-1,3,5-triene",
"role": "assistant"
}
] |
298,743 | {
"selfies": "[C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][N][Ring1][=C]",
"smiles": "CC1CN(S(C)(=O)=O)C(CC(=O)O)CN1"
} | 2-[(2S,5R)-5-methyl-1-methylsulfonylpiperazin-2-yl]acetic acid | [
{
"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-[(2S,5R)-5-methyl-1-methylsulfonylpiperazin-2-yl]acetic acid",
"role": "assistant"
}
] |
298,744 | {
"selfies": "[C][C][N][C][Branch1][=Branch2][C][C][C][C][O][C][Ring1][=Branch1][=N][N][=C][Ring1][O][N][C][C][C][Branch1][O][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][C][Ring1][O]",
"smiles": "CCn1c(C2CCCOC2)nnc1N1CCC(c2noc(C)n2)C1"
} | 3-[(3S)-1-[4-ethyl-5-[(3S)-oxan-3-yl]-1,2,4-triazol-3-yl]pyrrolidin-3-yl]-5-methyl-1,2,4-oxadiazole | [
{
"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": "3-[(3S)-1-[4-ethyl-5-[(3S)-oxan-3-yl]-1,2,4-triazol-3-yl]pyrrolidin-3-yl]-5-methyl-1,2,4-oxadiazole",
"role": "assistant"
}
] |
298,745 | {
"selfies": "[C][C][C][C][N][Branch1][C][N][C][=C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=N]",
"smiles": "CCCCN(N)C1=C(N)c2ccccc2CN(C(=O)CCNC(=O)OC(C)(C)C)c2ccccc21"
} | tert-butyl N-[3-[(11Z)-11-amino-12-[amino(butyl)amino]-6H-benzo[c][1]benzazocin-5-yl]-3-oxopropyl]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 of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "tert-butyl N-[3-[(11Z)-11-amino-12-[amino(butyl)amino]-6H-benzo[c][1]benzazocin-5-yl]-3-oxopropyl]carbamate",
"role": "assistant"
}
] |
298,746 | {
"selfies": "[C][S][Branch1][Branch1][C][C][C][Cl][Branch1][P][C][=C][C][=C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring2][=C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring2][=C][Ring1][#Branch2]",
"smiles": "CS(CCCCl)(c1cccc(N2CCC2)c1)c1cccc(N2CCC2)c1"
} | bis[3-(azetidin-1-yl)phenyl]-(3-chloropropyl)-methyl-lambda4-sulfane | [
{
"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": "bis[3-(azetidin-1-yl)phenyl]-(3-chloropropyl)-methyl-lambda4-sulfane",
"role": "assistant"
}
] |
298,747 | {
"selfies": "[C][C][=C][N][C][=C][Branch2][Ring1][N][C][=C][C][N][=C][N][Branch1][#Branch2][C][C][C][N][C][C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][=Ring1][=C][S][Ring1][P][C][=C][Branch1][C][F][C][Ring2][Ring1][Branch2][=N][Ring2][Ring1][O]",
"smiles": "Cc1cn2cc(-c3cc4ncn(C5CCNCC5F)c(=O)c4s3)cc(F)c2n1"
} | 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(3R,4S)-3-fluoropiperidin-4-yl]thieno[3,2-d]pyrimidin-4-one | [
{
"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-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(3R,4S)-3-fluoropiperidin-4-yl]thieno[3,2-d]pyrimidin-4-one",
"role": "assistant"
}
] |
298,748 | {
"selfies": "[C][C][=C][N][N][=C][Branch2][Ring2][=C][C][=C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][=C][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][Branch2][C][=C][Branch1][C][C][C][Ring2][Ring1][#C][=N][Ring2][Ring2][C]",
"smiles": "Cc1cn2nc(-c3ccc4c(=O)n(C5CCN(C(=O)OC(C)(C)C)CC5)ccc4n3)cc(C)c2n1"
} | tert-butyl 4-[2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-oxo-1,6-naphthyridin-6-yl]piperidine-1-carboxylate | [
{
"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": "tert-butyl 4-[2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-oxo-1,6-naphthyridin-6-yl]piperidine-1-carboxylate",
"role": "assistant"
}
] |
298,749 | {
"selfies": "[C][C][=C][Branch1][C][O][C][Branch2][Ring1][S][C][=N][C][=C][C][=Branch1][C][=O][N][Branch1][N][C][C][C][C][C][Ring1][Branch1][C][N][Ring1][Branch1][C][=C][C][Ring1][=C][=N][Ring2][Ring1][C][=C][C][=C][N][Branch1][C][C][N][=C][Ring2][Ring1][=N][Ring1][=Branch1]",
"smiles": "Cc1c(O)c(-c2ncc3c(=O)n(C4CC5CC4CN5)ccc3n2)cc2cn(C)nc12"
} | 6-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)pyrido[4,3-d]pyrimidin-5-one | [
{
"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-[(1S,4S)-2-azabicyclo[2.2.1]heptan-5-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)pyrido[4,3-d]pyrimidin-5-one",
"role": "assistant"
}
] |
298,750 | {
"selfies": "[C][C][N][C][C][C][Branch2][Ring2][Branch1][N][N][=C][C][=N][C][Branch2][Ring1][C][C][=C][C][O][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][O][=C][C][=C][Ring1][P][C][Ring2][Ring1][Branch1][=O][C][C][Ring2][Ring1][N]",
"smiles": "CCN1CCC(n2ncc3nc(-c4cc5oc(C)nc5cc4O)ccc3c2=O)CC1"
} | 6-(1-ethylpiperidin-4-yl)-2-(5-hydroxy-2-methyl-1,3-benzoxazol-6-yl)pyrido[2,3-d]pyridazin-5-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": "6-(1-ethylpiperidin-4-yl)-2-(5-hydroxy-2-methyl-1,3-benzoxazol-6-yl)pyrido[2,3-d]pyridazin-5-one",
"role": "assistant"
}
] |
298,751 | {
"selfies": "[N][C][C][C][C][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][=C][Branch1][C][N][C][=Branch1][C][=O][N][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][=N][S][Ring2][Ring1][O]",
"smiles": "NCCCCNCCCNC(=O)c1cc2c(nc(N)c(=O)n2-c2ccc3c(c2)N(c2ccccc2)CCO3)s1"
} | 3-amino-N-[3-(4-aminobutylamino)propyl]-2-oxo-1-(4-phenyl-2,3-dihydro-1,4-benzoxazin-6-yl)thieno[2,3-b]pyrazine-6-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": "3-amino-N-[3-(4-aminobutylamino)propyl]-2-oxo-1-(4-phenyl-2,3-dihydro-1,4-benzoxazin-6-yl)thieno[2,3-b]pyrazine-6-carboxamide",
"role": "assistant"
}
] |
298,752 | {
"selfies": "[C][N][C][C][Branch2][Ring1][=C][C][=C][C][Branch1][=C][C][=C][C][=C][C][Branch1][Ring1][C][N][=C][Ring1][Branch2][Cl][=C][O][C][=C][C][Ring1][Branch1][=C][Ring2][Ring1][C][O][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2][Ring2][Ring1][S]",
"smiles": "CN1CC(c2cc(-c3cccc(CN)c3Cl)c3occc3c2)Oc2c(CC(=O)O)cccc21"
} | 2-[2-[7-[3-(aminomethyl)-2-chlorophenyl]-1-benzofuran-5-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl]acetic 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-[2-[7-[3-(aminomethyl)-2-chlorophenyl]-1-benzofuran-5-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl]acetic acid",
"role": "assistant"
}
] |
298,753 | {
"selfies": "[C][C][C][=C][C][=N][C][=C][Branch2][Branch1][P][C][N][C][C][N][Branch2][Branch1][Ring2][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][#Branch1][C][=N][C][=C][Branch1][=N][N][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][=N][Ring1][=C][C][C][Ring2][Ring1][Ring2][N][=C][Ring2][Ring1][=N][C][C][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][#Branch2][NH1][C][Ring2][Ring2][=C][=O]",
"smiles": "CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5CCN(c6ncc(N7CCC(=O)NC7=O)cn6)CC5)nc4)CC3)cc2[nH]c1=O"
} | N-[1-[5-(2,4-dioxo-1,3-diazinan-1-yl)pyrimidin-2-yl]piperidin-4-yl]-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-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": "N-[1-[5-(2,4-dioxo-1,3-diazinan-1-yl)pyrimidin-2-yl]piperidin-4-yl]-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide",
"role": "assistant"
}
] |
298,755 | {
"selfies": "[C][C][=N][C][=C][C][=C][Branch2][Ring2][N][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][NH1][C][=C][Ring1][#Branch1][Ring1][=N][C][=C][Ring2][Ring1][Branch2][Cl][C][=C][Ring2][Ring1][#C][O][Ring2][Ring2][C]",
"smiles": "Cc1nc2ccc(-c3cc(F)c(NC(=O)NC4CCC(C)Cc5cc(=O)[nH]cc54)cc3Cl)cc2o1"
} | 1-[5-chloro-2-fluoro-4-(2-methyl-1,3-benzoxazol-6-yl)phenyl]-3-[(6S,9R)-6-methyl-3-oxo-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-9-yl]urea | [
{
"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-[5-chloro-2-fluoro-4-(2-methyl-1,3-benzoxazol-6-yl)phenyl]-3-[(6S,9R)-6-methyl-3-oxo-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-9-yl]urea",
"role": "assistant"
}
] |
298,756 | {
"selfies": "[C][O][C][=C][N][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=N][S][C][Branch1][C][C][Branch1][C][C][C]",
"smiles": "COc1cnc(F)c(Cl)c1C=NSC(C)(C)C"
} | (E)-N-tert-butylsulfanyl-1-(3-chloro-2-fluoro-5-methoxypyridin-4-yl)methanimine | [
{
"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": "(E)-N-tert-butylsulfanyl-1-(3-chloro-2-fluoro-5-methoxypyridin-4-yl)methanimine",
"role": "assistant"
}
] |
298,757 | {
"selfies": "[C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Branch1][C][C][C][C][=Branch1][C][=O][O][=N][Ring2][Ring1][P]",
"smiles": "Cc1cc(C(F)(F)F)cc(N2C(=O)CCC2C(=O)N(C)c2cccc(F)c2N(C)CC(=O)O)n1"
} | 2-[2-fluoro-N-methyl-6-[methyl-[(2S)-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-5-oxopyrrolidine-2-carbonyl]amino]anilino]acetic 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-fluoro-N-methyl-6-[methyl-[(2S)-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-5-oxopyrrolidine-2-carbonyl]amino]anilino]acetic acid",
"role": "assistant"
}
] |
298,758 | {
"selfies": "[C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][C][N][=C][N][Branch1][Branch1][C][=Ring1][Branch1][C][C][C][N][Branch1][C][C][C][Ring1][=Branch2][=N][Ring2][Ring2][=Branch2]",
"smiles": "Cc1cc(C(F)(F)F)cc(N2C(=O)CCC2C(=O)N(C)c2cccc(C)c2N(C)Cc2nc3n(c2C)CCN(C)C3)n1"
} | N-[2-[(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl-methylamino]-3-methylphenyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-5-oxopyrrolidine-2-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": "N-[2-[(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl-methylamino]-3-methylphenyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-5-oxopyrrolidine-2-carboxamide",
"role": "assistant"
}
] |
298,760 | {
"selfies": "[C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][O][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][#C][Ring2][Ring1][N]",
"smiles": "CNC(=O)c1n[nH]c2cc(-c3ccc(OC)c(NC(=O)N4OCCC4c4ccccc4)c3)ccc12"
} | (3S)-N-[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]phenyl]-3-phenyl-1,2-oxazolidine-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": "(3S)-N-[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]phenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide",
"role": "assistant"
}
] |
298,761 | {
"selfies": "[C][N][C][Branch1][C][C][=C][Branch1][C][S][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][C][C][C][N][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][C][C][Branch2][Ring1][Ring2][O][C][C][O][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring2][#Branch1]",
"smiles": "CNC(C)=C(S)c1ccc(CCCCCNC(=O)C(NC(=O)C2(F)CC2)C(C)(C)C)c(OCCOCCC(=O)OC(C)(C)C)c1"
} | tert-butyl 3-[2-[2-[5-[[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]amino]pentyl]-5-[(Z)-2-(methylamino)-1-sulfanylprop-1-enyl]phenoxy]ethoxy]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 denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "tert-butyl 3-[2-[2-[5-[[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]amino]pentyl]-5-[(Z)-2-(methylamino)-1-sulfanylprop-1-enyl]phenoxy]ethoxy]propanoate",
"role": "assistant"
}
] |
298,762 | {
"selfies": "[C][C][N][=C][S][C][=Ring1][Branch1][C][=C][C][=C][Branch2][Branch2][S][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch2][=Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Branch1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch1][Branch1][C][C][C][Ring1][#Branch2][C][=N][Ring2][Ring1][Branch1][C][Ring2][Ring1][S][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][=Branch1][C]",
"smiles": "Cc1ncsc1-c1ccc(C(C)NC(=O)C2CC(O)CN2C(=O)C(NC(=O)CCCCCC(=O)N2CC(C(c3ccccc3)n3cc(NC(=O)c4n[nH]c5c4CC4C(F)(F)C4(C)C5)cn3)C2)C(C)(C)C)cc1"
} | (4aS,5aR)-5,5-difluoro-N-[1-[(S)-[1-[7-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-7-oxoheptanoyl]azetidin-3-yl]-phenylmethyl]pyrazol-4-yl]-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-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": "(4aS,5aR)-5,5-difluoro-N-[1-[(S)-[1-[7-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-7-oxoheptanoyl]azetidin-3-yl]-phenylmethyl]pyrazol-4-yl]-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-3-carboxamide",
"role": "assistant"
}
] |
298,763 | {
"selfies": "[C][N][C][=N][C][Branch2][Ring2][#Branch2][C][C][C][C][C][Branch1][C][O][Branch2][Ring1][=Branch1][C][=C][C][Branch1][N][C][C][C][Branch1][C][O][C][O][C][Ring1][Branch1][=N][N][Ring1][N][C][C][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2]",
"smiles": "Cn1cnc(C2CC3CC(O)(c4cc(CCC5(O)COC5)nn4C)CC3C2)c1C(=O)Nc1ccc(F)c(Cl)c1"
} | N-(3-chloro-4-fluorophenyl)-5-[5-hydroxy-5-[5-[2-(3-hydroxyoxetan-3-yl)ethyl]-2-methylpyrazol-3-yl]-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]-3-methylimidazole-4-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-(3-chloro-4-fluorophenyl)-5-[5-hydroxy-5-[5-[2-(3-hydroxyoxetan-3-yl)ethyl]-2-methylpyrazol-3-yl]-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]-3-methylimidazole-4-carboxamide",
"role": "assistant"
}
] |
298,765 | {
"selfies": "[O][=C][C][=C][C][=C][Branch2][Ring2][Ring2][O][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O]",
"smiles": "O=Cc1ccc(OCc2ccc(-c3nc(Cc4cccc(Cl)c4)no3)cc2)cc1"
} | 4-[[4-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methoxy]benzaldehyde | [
{
"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": "4-[[4-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methoxy]benzaldehyde",
"role": "assistant"
}
] |
298,766 | {
"selfies": "[C][C][O][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][=Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=N][Ring1][=Branch2][C][=C][Ring1][P]",
"smiles": "Cc1oc(Cc2cccc(Cl)c2)nc1-c1ccc(OCc2ccc(C(N)=O)cn2)cc1"
} | 6-[[4-[2-[(3-chlorophenyl)methyl]-5-methyl-1,3-oxazol-4-yl]phenoxy]methyl]pyridine-3-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": "6-[[4-[2-[(3-chlorophenyl)methyl]-5-methyl-1,3-oxazol-4-yl]phenoxy]methyl]pyridine-3-carboxamide",
"role": "assistant"
}
] |
298,767 | {
"selfies": "[C][C][#C][C][=N][C][=C][Branch2][Ring2][Ring2][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][Branch2][=C][Branch1][C][F][C][=C][Ring2][Ring1][C][C][C][=C][Ring2][Ring1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1]",
"smiles": "CC#Cc1ncc(-c2cc(NC(=O)c3ccn(C(C)C)c3)c(F)cc2C)cc1N1CCOCC1"
} | N-[2-fluoro-4-methyl-5-(5-morpholin-4-yl-6-prop-1-ynylpyridin-3-yl)phenyl]-1-propan-2-ylpyrrole-3-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": "N-[2-fluoro-4-methyl-5-(5-morpholin-4-yl-6-prop-1-ynylpyridin-3-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide",
"role": "assistant"
}
] |
298,768 | {
"selfies": "[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][=C][Ring1][P][F]",
"smiles": "CCCS(=O)(=O)Nc1cc(Cl)cc(C(=O)Cc2ccnc(Cl)n2)c1F"
} | N-[5-chloro-3-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]propane-1-sulfonamide | [
{
"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-[5-chloro-3-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]propane-1-sulfonamide",
"role": "assistant"
}
] |
298,769 | {
"selfies": "[C][O][C][=C][C][Branch2][Branch2][Branch2][C][C][=Branch1][C][=O][N][C][C][=C][Branch2][#Branch1][#Branch1][C][C][C][Branch2][=Branch1][N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][O][C][Branch2][Ring1][=N][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=N][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][NH1][Ring1][P][C][Ring2][Ring1][=Branch1][C][O][Ring2][Ring2][P][NH1][N][=Ring2][Branch1][=Branch1][=C][C][=N][Ring2][Branch1][S]",
"smiles": "COc1cc(CC(=O)Nc2cc(C3CC(c4cc([N+](=O)[O-])ccc4OC(=O)Oc4ccc([N+](=O)[O-])cc4C4COC(c5cc(NC(=O)Cc6ccnc(OC)c6)n[nH]5)C4)CO3)[nH]n2)ccn1"
} | bis[2-[5-[3-[[2-(2-methoxypyridin-4-yl)acetyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]-4-nitrophenyl] carbonate | [
{
"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": "bis[2-[5-[3-[[2-(2-methoxypyridin-4-yl)acetyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]-4-nitrophenyl] carbonate",
"role": "assistant"
}
] |
298,770 | {
"selfies": "[C][C][C][C][C][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]",
"smiles": "CC1CCC1c1ccc(F)cc1F"
} | 2,4-difluoro-1-[(1S,2R)-2-methylcyclobutyl]benzene | [
{
"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": "2,4-difluoro-1-[(1S,2R)-2-methylcyclobutyl]benzene",
"role": "assistant"
}
] |
298,771 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring2][O][C][O][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][Ring2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C]",
"smiles": "CCCCCCCCCCCCNC(=O)C(COC1C(OC(C)=O)C(OCc2ccccc2)C(O)C2COC(=O)N21)NC(=O)CCCCCCCCCCC"
} | [(5R,8R)-5-[(2S)-2-(dodecanoylamino)-3-(dodecylamino)-3-oxopropoxy]-8-hydroxy-3-oxo-7-phenylmethoxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl] acetate | [
{
"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": "[(5R,8R)-5-[(2S)-2-(dodecanoylamino)-3-(dodecylamino)-3-oxopropoxy]-8-hydroxy-3-oxo-7-phenylmethoxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl] acetate",
"role": "assistant"
}
] |
298,772 | {
"selfies": "[C][C][C][=N][C][Branch2][Ring2][=Branch1][N][N][=C][N][=C][Ring1][Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=N][N][Branch1][C][C][C][Ring2][Ring1][N][=O]",
"smiles": "CCc1nc(-n2ncnc2C(C)NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)nn(C)c1=O"
} | 3-chloro-N-[1-[2-(5-ethyl-1-methyl-6-oxo-1,2,4-triazin-3-yl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)benzamide | [
{
"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": "3-chloro-N-[1-[2-(5-ethyl-1-methyl-6-oxo-1,2,4-triazin-3-yl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)benzamide",
"role": "assistant"
}
] |
298,774 | {
"selfies": "[O][=N+1][Branch1][C][O-1][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][=Branch1][C][=Ring1][O][O][C][C][C][O]",
"smiles": "O=[N+]([O-])c1cnn(C2CCCCO2)c1OCCCO"
} | 3-[4-nitro-2-(oxan-2-yl)pyrazol-3-yl]oxypropan-1-ol | [
{
"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-[4-nitro-2-(oxan-2-yl)pyrazol-3-yl]oxypropan-1-ol",
"role": "assistant"
}
] |
298,775 | {
"selfies": "[C][C][Branch1][Ring2][C][C][O][N][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][#C]",
"smiles": "CC(CCO)NC1CC2(C1)CN(S(=O)(=O)c1ccccc1F)C2"
} | 3-[[2-(2-fluorophenyl)sulfonyl-2-azaspiro[3.3]heptan-6-yl]amino]butan-1-ol | [
{
"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": "3-[[2-(2-fluorophenyl)sulfonyl-2-azaspiro[3.3]heptan-6-yl]amino]butan-1-ol",
"role": "assistant"
}
] |
298,776 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][N][=C][N][=C][Ring2][Ring1][O][C][=C][Ring2][Ring1][#C][O][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]",
"smiles": "COc1cc2c(-c3ccc(NS(=O)(=O)Cc4ccc(C(F)(F)F)cc4)cc3)ncnc2cc1OCCCN1CCN(C)CC1"
} | N-[4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide | [
{
"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": "N-[4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide",
"role": "assistant"
}
] |
298,777 | {
"selfies": "[C][N][C][C][C][C][Branch1][#C][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][Ring1][N]",
"smiles": "CNCC1CC2(CCN(C(N)=O)CC2)C1"
} | 2-(methylaminomethyl)-7-azaspiro[3.5]nonane-7-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": "2-(methylaminomethyl)-7-azaspiro[3.5]nonane-7-carboxamide",
"role": "assistant"
}
] |
298,779 | {
"selfies": "[C][C][Branch1][C][C][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][Branch1][C][C][C][S][C][C][O][Ring1][N]",
"smiles": "CC(C)CN1CCC2(CC1)CN(CCCS)CCO2"
} | 3-[9-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propane-1-thiol | [
{
"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-[9-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propane-1-thiol",
"role": "assistant"
}
] |
298,780 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][=Branch1][Ring1][C][N][Branch1][C][C][C][=C][C][Branch2][Ring1][S][N][C][C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][=Branch2][C][=C][C][=C][Ring1][#C][Ring2][Ring1][C][=N][N][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][F][=C][N][=C][Ring2][Ring2][C][Ring1][N][C][=C][Ring2][Ring2][O]",
"smiles": "COc1ccc(CN(C)c2cc(N3CCc4c(-c5ccc(C(=O)O)cn5)cccc43)nn3c(C(=O)NC4CC4F)cnc23)cc1"
} | 6-[1-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydroindol-4-yl]pyridine-3-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": "6-[1-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydroindol-4-yl]pyridine-3-carboxylic acid",
"role": "assistant"
}
] |
298,782 | {
"selfies": "[C][=C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Branch1][O][N][C][=N][C][Branch2][Ring2][#Branch2][C][=C][C][=N][C][Branch2][Ring1][N][N][C][C][N][C][=Branch1][P][=C][C][=C][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][C][Ring1][=C][=O][=C][Ring2][Ring1][Branch1][C][O][=C][N][Branch1][C][C][C][Ring2][Ring1][=C][=O][=C][C][=C][Ring2][Ring2][=Branch1][N][C][C][N][Branch2][Ring2][#Branch1][C][C][C][N][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][C][Branch1][C][C][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][N][=C][Ring1][=C][C][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][#Branch2][C]",
"smiles": "C=CC(=O)Nc1cc(Nc2nc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)ccc1N1CCN(C2CCN(c3ccc(C(C)(C)OP(=O)(O)O)nc3)CC2)CC1C"
} | 2-[5-[4-[(3S)-4-[4-[[6-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-4-methyl-3-oxopyrazin-2-yl]amino]-2-(prop-2-enoylamino)phenyl]-3-methylpiperazin-1-yl]piperidin-1-yl]pyridin-2-yl]propan-2-yl dihydrogen phosphate | [
{
"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-[5-[4-[(3S)-4-[4-[[6-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-4-methyl-3-oxopyrazin-2-yl]amino]-2-(prop-2-enoylamino)phenyl]-3-methylpiperazin-1-yl]piperidin-1-yl]pyridin-2-yl]propan-2-yl dihydrogen phosphate",
"role": "assistant"
}
] |
298,783 | {
"selfies": "[N][C][=C][Branch1][C][F][C][=N][C][=C][C][Branch2][Ring2][Ring2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Ring1][N][C][Ring1][P][=O][=N][Ring2][Ring1][O]",
"smiles": "NC=C(F)c1nccc(N2CCC3(CC2)OC2CCC(c4cccc(F)c4)N2C3=O)n1"
} | 1'-[2-[(E)-2-amino-1-fluoroethenyl]pyrimidin-4-yl]-5-(3-fluorophenyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one | [
{
"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": "1'-[2-[(E)-2-amino-1-fluoroethenyl]pyrimidin-4-yl]-5-(3-fluorophenyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one",
"role": "assistant"
}
] |
298,784 | {
"selfies": "[O][=C][Branch1][=C][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][C][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][Ring1][=N][C][Ring2][Ring1][C][=O]",
"smiles": "O=C(c1nc2cnccc2s1)N1CCC2(CC1)OC1CCC(c3cc(F)cc(F)c3)N1C2=O"
} | (5S)-5-(3,5-difluorophenyl)-1'-([1,3]thiazolo[4,5-c]pyridine-2-carbonyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-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": "(5S)-5-(3,5-difluorophenyl)-1'-([1,3]thiazolo[4,5-c]pyridine-2-carbonyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one",
"role": "assistant"
}
] |
298,785 | {
"selfies": "[C][C][Branch1][C][F][Branch1][C][F][C][=C][C][=N][C][Branch2][Ring1][P][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][Ring1][S][=O][=C][Ring2][Ring1][#Branch2]",
"smiles": "CC(F)(F)c1ccnc(N2CCC3(CC2)OC2CCC(c4ccccc4)N2C3=O)c1"
} | (5S)-1'-[4-(1,1-difluoroethyl)pyridin-2-yl]-5-phenylspiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-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": "(5S)-1'-[4-(1,1-difluoroethyl)pyridin-2-yl]-5-phenylspiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one",
"role": "assistant"
}
] |
298,786 | {
"selfies": "[O][=C][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][C][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][Ring1][=N][C][Ring2][Ring1][C][O]",
"smiles": "O=C(c1ncccc1F)N1CCC2(CC1)OC1CCC(c3cc(F)cc(F)c3)N1C2O"
} | [(5S)-5-(3,5-difluorophenyl)-3-hydroxyspiro[5,6,7,7a-tetrahydro-3H-pyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-1'-yl]-(3-fluoropyridin-2-yl)methanone | [
{
"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": "[(5S)-5-(3,5-difluorophenyl)-3-hydroxyspiro[5,6,7,7a-tetrahydro-3H-pyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-1'-yl]-(3-fluoropyridin-2-yl)methanone",
"role": "assistant"
}
] |
298,787 | {
"selfies": "[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][C][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][Ring1][=N][C][Ring2][Ring1][C][=O]",
"smiles": "O=C(c1ccc(Br)cn1)N1CCC2(CC1)OC1CCC(c3cc(F)cc(F)c3)N1C2=O"
} | 1'-(5-bromopyridine-2-carbonyl)-5-(3,5-difluorophenyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one | [
{
"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": "1'-(5-bromopyridine-2-carbonyl)-5-(3,5-difluorophenyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one",
"role": "assistant"
}
] |
298,788 | {
"selfies": "[C][=C][Branch1][Ring2][C][=C][C][C][O][C][=C][C][=C][C][Branch1][#Branch2][C][Branch1][Ring2][C][C][C][C][C][C][=N][Ring1][=N]",
"smiles": "C=C(C=CC)COc1cccc(C(CCC)CCC)n1"
} | 2-heptan-4-yl-6-[(Z)-2-methylidenepent-3-enoxy]pyridine | [
{
"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-heptan-4-yl-6-[(Z)-2-methylidenepent-3-enoxy]pyridine",
"role": "assistant"
}
] |
298,791 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][Branch1][C][O][N][Branch1][C][C][C][C][Ring1][N][C][=C][Ring2][Ring1][C][O][C]",
"smiles": "COc1ccc(C23C=CC(=O)CC2(O)N(C)CC3)cc1OC"
} | 3a-(3,4-dimethoxyphenyl)-7a-hydroxy-1-methyl-3,7-dihydro-2H-indol-6-one | [
{
"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": "3a-(3,4-dimethoxyphenyl)-7a-hydroxy-1-methyl-3,7-dihydro-2H-indol-6-one",
"role": "assistant"
}
] |
298,792 | {
"selfies": "[C][O][C][=C][C][=C][C][Branch2][Ring2][=C][C][C][O][C][Branch2][Ring2][Ring1][C][C][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][C][N][Branch1][C][C][C][Ring1][S][C][Ring2][Ring1][Ring2][O][Ring2][Ring1][Branch2][=C][Ring2][Ring1][=C]",
"smiles": "COc1cccc(C2COC3(CCC4(c5ccc(OC)c(OC)c5)CCN(C)C4C3)O2)c1"
} | 3'a-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)-1'-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,7a-hexahydroindole] | [
{
"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": "3'a-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)-1'-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,7a-hexahydroindole]",
"role": "assistant"
}
] |
298,793 | {
"selfies": "[C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][C][Branch2][Ring1][=C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][C][C][Branch1][C][C][Branch1][C][C][N][C][C][C][Branch1][C][C][Branch1][C][C][N][C][C][C][Ring2][Ring1][#Branch1][Branch1][C][C][C][Ring2][Ring1][N][C][C][C][Ring2][Ring2][Ring1][Ring2][Ring1][S][C]",
"smiles": "CC(C)CCCCC1CCC2C3CC=C4CC(OC(=O)N(CCCC(C)(C)N)CCC(C)(C)N)CCC4(C)C3CCC12C"
} | [10,13-dimethyl-17-(5-methylhexyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-(3-amino-3-methylbutyl)-N-(4-amino-4-methylpentyl)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": "[10,13-dimethyl-17-(5-methylhexyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-(3-amino-3-methylbutyl)-N-(4-amino-4-methylpentyl)carbamate",
"role": "assistant"
}
] |
298,794 | {
"selfies": "[C][C][C][C][C][O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][#N]",
"smiles": "CCCCCOC(CC)C(=O)NCC#N"
} | N-(cyanomethyl)-2-pentoxybutanamide | [
{
"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": "N-(cyanomethyl)-2-pentoxybutanamide",
"role": "assistant"
}
] |
298,795 | {
"selfies": "[C][O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][=N][C][Ring1][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][Branch1][C][F][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O]",
"smiles": "COc1cc(F)c(F)cc1C(=O)NC1C2CCC(C2=Cc2ccccc2)C1(F)C(=O)Nc1ccc(F)c(C(F)(F)F)c1"
} | (2R,3R,7E)-7-benzylidene-3-[(4,5-difluoro-2-methoxybenzoyl)amino]-2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-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": "(2R,3R,7E)-7-benzylidene-3-[(4,5-difluoro-2-methoxybenzoyl)amino]-2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide",
"role": "assistant"
}
] |
298,796 | {
"selfies": "[N][#C][C][C][N][C][=C][Branch2][Ring1][Branch2][C][=N][C][=N][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][Ring1][#C][=Ring1][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][O]",
"smiles": "N#CCCn1cc(-c2ncnc3oc(-c4ccccn4)cc23)c(-c2ccc(F)cc2)n1"
} | 3-[3-(4-fluorophenyl)-4-(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile | [
{
"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-fluorophenyl)-4-(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile",
"role": "assistant"
}
] |
298,797 | {
"selfies": "[F][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=N][N][Branch1][#Branch2][C][C][C][C][C][S][C][Ring1][=Branch1][C][=C][Ring1][N][C][=N][C][=N][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][#C][=Ring1][O][C][=C][Ring2][Ring1][P]",
"smiles": "Fc1ccc(-c2nn(CC3CCCSC3)cc2-c2ncnc3oc(-c4ccccc4)cc23)cc1"
} | 4-[3-(4-fluorophenyl)-1-(thian-3-ylmethyl)pyrazol-4-yl]-6-phenylfuro[2,3-d]pyrimidine | [
{
"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": "4-[3-(4-fluorophenyl)-1-(thian-3-ylmethyl)pyrazol-4-yl]-6-phenylfuro[2,3-d]pyrimidine",
"role": "assistant"
}
] |
298,798 | {
"selfies": "[C][C][Branch1][C][C][C][C][Branch2][Ring2][P][C][N][C][=C][Branch2][Ring1][Branch2][C][=N][C][=N][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][#C][=Ring1][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][O][O][Ring2][Ring1][P]",
"smiles": "CC1(C)CC(Cn2cc(-c3ncnc4oc(-c5ccccc5)cc34)c(-c3ccc(F)cc3)n2)O1"
} | 4-[1-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-6-phenylfuro[2,3-d]pyrimidine | [
{
"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-[1-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-6-phenylfuro[2,3-d]pyrimidine",
"role": "assistant"
}
] |
298,799 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][C][N][N][=C][Branch1][C][Br][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][=N]",
"smiles": "CC(C)(C)[Si](C)(C)OCCn1nc(Br)c(-c2ccc(F)cc2)n1"
} | 2-[4-bromo-5-(4-fluorophenyl)triazol-2-yl]ethoxy-tert-butyl-dimethylsilane | [
{
"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-[4-bromo-5-(4-fluorophenyl)triazol-2-yl]ethoxy-tert-butyl-dimethylsilane",
"role": "assistant"
}
] |
298,800 | {
"selfies": "[F][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=N][N][Branch1][=Branch2][C][C][C][C][O][C][Ring1][=Branch1][C][=C][Ring1][O][C][=N][C][=N][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][#C][=Ring1][O][C][=C][Ring2][Ring1][S]",
"smiles": "Fc1ccc(-c2nn(C3CCCOC3)cc2-c2ncnc3oc(-c4ccccc4)cc23)cc1"
} | 4-[3-(4-fluorophenyl)-1-[(3S)-oxan-3-yl]pyrazol-4-yl]-6-phenylfuro[2,3-d]pyrimidine | [
{
"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": "4-[3-(4-fluorophenyl)-1-[(3S)-oxan-3-yl]pyrazol-4-yl]-6-phenylfuro[2,3-d]pyrimidine",
"role": "assistant"
}
] |
298,802 | {
"selfies": "[C][C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][N][C][C][Branch1][C][C][C]",
"smiles": "CCC(C)CCCCCCCCCNCC(C)C"
} | 10-methyl-N-(2-methylpropyl)dodecan-1-amine | [
{
"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": "10-methyl-N-(2-methylpropyl)dodecan-1-amine",
"role": "assistant"
}
] |
298,803 | {
"selfies": "[C][C][Branch1][C][O][C][N][C][=C][C][=C][C][Branch1][#Branch1][O][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][#Branch2][Ring1][=N]",
"smiles": "CC(O)Cn1ccc2cc(OC3CC3)ccc21"
} | (2S)-1-(5-cyclopropyloxyindol-1-yl)propan-2-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": "(2S)-1-(5-cyclopropyloxyindol-1-yl)propan-2-ol",
"role": "assistant"
}
] |
298,805 | {
"selfies": "[N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring2][N][=C][Branch1][C][N][C][=Branch1][C][=O][N][Ring1][Branch2][C][=C][C][=C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=C][Ring1][#C][S][Ring2][Ring1][#Branch2]",
"smiles": "NC(=O)c1cc2c(nc(N)c(=O)n2-c2ccc3ccn(-c4ccccc4)c3c2)s1"
} | 3-amino-2-oxo-1-(1-phenylindol-6-yl)thieno[2,3-b]pyrazine-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": "3-amino-2-oxo-1-(1-phenylindol-6-yl)thieno[2,3-b]pyrazine-6-carboxamide",
"role": "assistant"
}
] |
298,806 | {
"selfies": "[C][O][C][C][C][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring1][N][=C][Branch1][C][N][C][=Branch1][C][=O][N][Ring1][Branch2][C][=C][C][=C][Branch1][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][S][Ring2][Ring1][=Branch2][C][Ring2][Ring1][S]",
"smiles": "COC1CC(NC(=O)c2cc3c(nc(N)c(=O)n3-c3ccc(C)c(Oc4ccccc4)c3)s2)C1"
} | 3-amino-N-(3-methoxycyclobutyl)-1-(4-methyl-3-phenoxyphenyl)-2-oxothieno[2,3-b]pyrazine-6-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": "3-amino-N-(3-methoxycyclobutyl)-1-(4-methyl-3-phenoxyphenyl)-2-oxothieno[2,3-b]pyrazine-6-carboxamide",
"role": "assistant"
}
] |
298,807 | {
"selfies": "[N][C][=N][C][S][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][O][C][Ring1][Branch1][=C][C][=Ring1][=N][N][Branch2][Ring1][Branch2][C][=C][C][=C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=C][Ring1][#C][C][Ring2][Ring1][S][=O]",
"smiles": "Nc1nc2sc(C(=O)NC3CCOC3)cc2n(-c2ccc3ccn(-c4ccccc4)c3c2)c1=O"
} | 3-amino-2-oxo-N-[(3R)-oxolan-3-yl]-1-(1-phenylindol-6-yl)thieno[2,3-b]pyrazine-6-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": "3-amino-2-oxo-N-[(3R)-oxolan-3-yl]-1-(1-phenylindol-6-yl)thieno[2,3-b]pyrazine-6-carboxamide",
"role": "assistant"
}
] |
298,808 | {
"selfies": "[N][#C][C][=N][C][Branch1][Ring1][C][#N][=C][S][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C][C][Ring2][Ring1][P][=N][Ring2][Ring2][#Branch1]",
"smiles": "N#Cc1nc(C#N)c2sc3ccc(-c4cc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)c4)cc3c2n1"
} | 8-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine-2,4-dicarbonitrile | [
{
"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": "8-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine-2,4-dicarbonitrile",
"role": "assistant"
}
] |
298,809 | {
"selfies": "[C][N][Branch1][C][C][C][C][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][#Branch1]",
"smiles": "CN(C)CCn1c(-c2cccnc2)cc2cc(OCc3ccccc3)ccc21"
} | N,N-dimethyl-2-(5-phenylmethoxy-2-pyridin-3-ylindol-1-yl)ethanamine | [
{
"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,N-dimethyl-2-(5-phenylmethoxy-2-pyridin-3-ylindol-1-yl)ethanamine",
"role": "assistant"
}
] |
298,810 | {
"selfies": "[O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch2][Branch1][Branch1][C][=C][N][=C][C][Branch2][Ring2][=Branch2][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][N][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][S][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring2][Ring2][P]",
"smiles": "O=S(=O)(c1ccccc1)n1c(-c2cncc(-c3cc4cc(OCc5ccccc5)ccc4n3S(=O)(=O)c3ccccc3)c2)cc2cc(OCc3ccccc3)ccc21"
} | 1-(benzenesulfonyl)-2-[5-[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]pyridin-3-yl]-5-phenylmethoxyindole | [
{
"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-(benzenesulfonyl)-2-[5-[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]pyridin-3-yl]-5-phenylmethoxyindole",
"role": "assistant"
}
] |
298,812 | {
"selfies": "[C][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][N][N][=C][C][=C][C][Branch1][C][S][=C][C][=C][Ring1][#Branch1][C][Ring1][O][=O][=N][Ring2][Ring1][Ring1]",
"smiles": "Cc1cccc(Cn2ncc3cc(S)ccc3c2=O)n1"
} | 2-[(6-methylpyridin-2-yl)methyl]-6-sulfanylphthalazin-1-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": "2-[(6-methylpyridin-2-yl)methyl]-6-sulfanylphthalazin-1-one",
"role": "assistant"
}
] |
298,813 | {
"selfies": "[C][C][NH1][N][=C][Branch2][Ring2][=Branch1][C][N][N][=C][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1][=O][C][=Ring2][Ring1][#Branch2][C]",
"smiles": "Cc1[nH]nc(Cn2ncc3cc(S(=O)(=O)c4cnn(C)c4)ccc3c2=O)c1C"
} | 2-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-(1-methylpyrazol-4-yl)sulfonylphthalazin-1-one | [
{
"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-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-(1-methylpyrazol-4-yl)sulfonylphthalazin-1-one",
"role": "assistant"
}
] |
298,814 | {
"selfies": "[O][=C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][N][Branch1][Ring2][C][C][O][C][=Ring1][Branch2][C][=C][Ring1][P][C][=N][N][Ring2][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][=Branch2]",
"smiles": "O=c1c2ccc(S(=O)(=O)c3cnn(CCO)c3)cc2cnn1Cc1cccc(C2CC2)n1"
} | 2-[(6-cyclopropylpyridin-2-yl)methyl]-6-[1-(2-hydroxyethyl)pyrazol-4-yl]sulfonylphthalazin-1-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": "2-[(6-cyclopropylpyridin-2-yl)methyl]-6-[1-(2-hydroxyethyl)pyrazol-4-yl]sulfonylphthalazin-1-one",
"role": "assistant"
}
] |
298,815 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][P][C][N][N][=C][C][=C][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][=C][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][=Branch2][=O][=C][Ring2][Ring1][P]",
"smiles": "CC(C)(C)OC(=O)Nc1cccc(Cn2ncc3cc(S(=O)(=NC(=O)C(F)(F)F)c4ccccc4)ccc3c2=O)c1"
} | tert-butyl N-[3-[[1-oxo-6-[S-phenyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]phthalazin-2-yl]methyl]phenyl]carbamate | [
{
"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": "tert-butyl N-[3-[[1-oxo-6-[S-phenyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]phthalazin-2-yl]methyl]phenyl]carbamate",
"role": "assistant"
}
] |
298,816 | {
"selfies": "[C][C][=C][C][Branch2][#Branch1][C][C][=C][C][=N][C][Branch2][=Branch1][=Branch1][N][C][=C][C][=C][Branch2][Branch1][=Branch2][N][C][C][N][Branch2][Ring2][=N][C][C][C][N][Branch2][Ring2][C][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][C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Ring2][=N][Ring2][Ring2][O][=C][C][=C][Ring2][Ring2][P][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=N][Ring1][=Branch2]",
"smiles": "Cc1cc(-c2ccnc(Nc3ccc(N4CCN(CC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)cc3)n2)ccc1CNC(=O)c1cn(C(C)(C)C)nn1"
} | 1-tert-butyl-N-[[4-[2-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]-2-methylphenyl]methyl]triazole-4-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-tert-butyl-N-[[4-[2-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]-2-methylphenyl]methyl]triazole-4-carboxamide",
"role": "assistant"
}
] |
298,818 | {
"selfies": "[C][O][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Ring2][C][=N][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2]",
"smiles": "COCCOC(=O)Nc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(c3ccccn3)C2)cc1"
} | 2-methoxyethyl N-[4-[2-(4-bromobenzoyl)-3-pyridin-2-yl-3,4-dihydropyrazol-5-yl]phenyl]carbamate | [
{
"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-methoxyethyl N-[4-[2-(4-bromobenzoyl)-3-pyridin-2-yl-3,4-dihydropyrazol-5-yl]phenyl]carbamate",
"role": "assistant"
}
] |
298,821 | {
"selfies": "[C][=C][C][=Branch1][=Branch1][=C][C][=N][C][=N][O][C][=C][C][=C][Branch2][Ring2][#C][N][C][=N][C][=N][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][F][=C][Ring1][O][Ring1][#Branch1][N][C][C][C][Branch1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][C][Branch1][=Branch1][C][O][Ring2][Ring1][Ring1][C][Ring1][#C][C][=C][Ring2][Ring1][P][C]",
"smiles": "C=CC(=CC=NC=N)Oc1ccc(Nc2ncnc3cc4c(c(F)c23)N2CCC(CCC(=O)C=CC)C(CO4)C2)cc1C"
} | N-[(2E)-3-[4-[[(14S)-3-fluoro-15-[(E)-3-oxohex-4-enyl]-12-oxa-1,6,8-triazatetracyclo[12.3.1.02,11.04,9]octadeca-2(11),3,5,7,9-pentaen-5-yl]amino]-2-methylphenoxy]penta-2,4-dienylidene]methanimidamide | [
{
"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": "N-[(2E)-3-[4-[[(14S)-3-fluoro-15-[(E)-3-oxohex-4-enyl]-12-oxa-1,6,8-triazatetracyclo[12.3.1.02,11.04,9]octadeca-2(11),3,5,7,9-pentaen-5-yl]amino]-2-methylphenoxy]penta-2,4-dienylidene]methanimidamide",
"role": "assistant"
}
] |
298,822 | {
"selfies": "[C][=C][C][=Branch1][C][=O][N][C][C][N][C][C][Ring1][=Branch1][C][O][C][=C][C][=N][C][=N][C][Branch2][Ring1][=N][N][C][=C][C][=C][Branch1][#C][O][C][C][=C][N][N][=C][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][Branch1][C][C][=C][Ring1][P][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][N][Ring2][Ring1][P]",
"smiles": "C=CC(=O)N1CCN2CC1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3cc12"
} | 1-[(14R)-5-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-12-oxa-1,6,8,15-tetrazatetracyclo[12.3.1.02,11.04,9]octadeca-2(11),3,5,7,9-pentaen-15-yl]prop-2-en-1-one | [
{
"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": "1-[(14R)-5-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-12-oxa-1,6,8,15-tetrazatetracyclo[12.3.1.02,11.04,9]octadeca-2(11),3,5,7,9-pentaen-15-yl]prop-2-en-1-one",
"role": "assistant"
}
] |
298,823 | {
"selfies": "[C][C][=C][C][Branch2][Branch1][Ring1][N][C][=N][C][=N][C][=C][C][Branch1][C][Br][=C][Branch2][Ring1][N][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][Ring1][C][O][C][Ring1][#C][N][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][=Branch1][=C][Branch1][C][F][C][=C][Ring2][Ring2][C][O][C][C][=C][N][N][=C][N][=C][Ring1][Branch1][C][=Ring1][=Branch2]",
"smiles": "Cc1cc(Nc2ncnc3cc(Br)c(N4CCN(C(=O)OC(C)(C)C)C(CO)C4)nc23)c(F)cc1Oc1ccn2ncnc2c1"
} | tert-butyl (2S)-4-[7-bromo-4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2-(hydroxymethyl)piperazine-1-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": "tert-butyl (2S)-4-[7-bromo-4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2-(hydroxymethyl)piperazine-1-carboxylate",
"role": "assistant"
}
] |
298,824 | {
"selfies": "[C][=C][C][=C][Branch2][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=Branch1][#Branch1][=N][C][=C][C][C][C][C][=N][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][O][C][C][Branch1][C][C][C][N][Ring1][O][C][C][C][C][C][=C][Ring2][Ring1][#C][C][C][=C][N][Ring2][Ring2][#Branch1][N][=C][C]",
"smiles": "C=C1C=C(Oc2ccc(NC(=NC=CCCC)c3nc4c(cc3C)OCC(C)CN4CCCC)cc2C)C=CN1N=CC"
} | 5-butyl-N-[4-[1-[(Z)-ethylideneamino]-2-methylidenepyridin-4-yl]oxy-3-methylphenyl]-3,8-dimethyl-N'-[(E)-pent-1-enyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-7-carboximidamide | [
{
"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": "5-butyl-N-[4-[1-[(Z)-ethylideneamino]-2-methylidenepyridin-4-yl]oxy-3-methylphenyl]-3,8-dimethyl-N'-[(E)-pent-1-enyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-7-carboximidamide",
"role": "assistant"
}
] |
298,825 | {
"selfies": "[C][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1]",
"smiles": "CNCC(=O)N1CCC2C1CCN2C1CCCCC1"
} | 1-(1-cyclohexyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)-2-(methylamino)ethanone | [
{
"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": "1-(1-cyclohexyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl)-2-(methylamino)ethanone",
"role": "assistant"
}
] |
298,826 | {
"selfies": "[C][O][N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][=C][C][C][=N][NH1][C][Ring1][S][=Ring1][Branch1]",
"smiles": "CONc1cc(-c2ccc(N)nc2)cc2cn[nH]c12"
} | 5-(6-aminopyridin-3-yl)-N-methoxy-1H-indazol-7-amine | [
{
"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": "5-(6-aminopyridin-3-yl)-N-methoxy-1H-indazol-7-amine",
"role": "assistant"
}
] |
298,827 | {
"selfies": "[C][#C][C][=C][Branch1][C][F][C][=C][C][=C][C][=C][C][Branch2][=Branch1][=Branch2][C][=N][C][=C][C][Branch2][Ring1][P][N][Branch1][C][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][N][C][C][C][Branch1][Ring1][O][C][C][Ring1][#Branch1][C][Ring1][P][=N][C][Branch2][Ring1][C][O][C][C][C][C][C][N][Ring1][Branch1][C][C][Branch1][C][F][C][Ring1][=Branch2][=N][C][Ring2][Ring2][Ring2][=C][Ring2][Ring2][Branch2][F][=C][Ring2][Branch1][Ring2][Ring2][Ring2][#C]",
"smiles": "C#Cc1c(F)ccc2cccc(-c3ncc4c(N(C)C5CCN(C(=O)C=CCN6CCC(OC)C6)C5)nc(OCC56CCCN5CC(F)C6)nc4c3F)c12"
} | (E)-1-[(3R)-3-[[7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]-4-[(3R)-3-methoxypyrrolidin-1-yl]but-2-en-1-one | [
{
"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": "(E)-1-[(3R)-3-[[7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]-4-[(3R)-3-methoxypyrrolidin-1-yl]but-2-en-1-one",
"role": "assistant"
}
] |
298,828 | {
"selfies": "[C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][O][Ring1][Branch2][C][Ring1][S][C][=N][C][Branch1][#C][O][C][C][C][C][C][N][Ring1][Branch1][C][C][C][Ring1][Branch2][=N][C][=C][Ring1][S][C][C][N][Branch2][Ring1][C][C][=C][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][O][Ring1][#Branch1][C][Ring1][P]",
"smiles": "CN(CC1CN(C(=O)C=Cc2nc(C(F)F)no2)C1)c1nc(OCC23CCCN2CCC3)nc2c1CCN(c1cccc3cccc(Cl)c13)C2"
} | (E)-1-[3-[[[7-(8-chloronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]azetidin-1-yl]-3-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]prop-2-en-1-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": "(E)-1-[3-[[[7-(8-chloronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-methylamino]methyl]azetidin-1-yl]-3-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]prop-2-en-1-one",
"role": "assistant"
}
] |
298,830 | {
"selfies": "[C][C][C][C][Branch2][=Branch1][Branch1][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][=N][C][Branch2][Ring2][#C][N][C][C][=C][Branch2][Ring2][Ring1][C][=C][Branch2][Ring1][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C][C][=C][Ring1][P][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][Branch1][Branch1][=Branch2][C][=N][N][=C][N][Ring1][Branch1][C][C][Ring2][Ring2][#C]",
"smiles": "CC1CC(c2cc(NC3CCCC3)nc(N3Cc4c(cc(CN5CCN(C)CC5C(C)C)cc4C(F)(F)F)C3=O)c2)(c2nncn2C)C1"
} | 2-[6-(cyclopentylamino)-4-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-yl]-6-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-3H-isoindol-1-one | [
{
"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-[6-(cyclopentylamino)-4-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridin-2-yl]-6-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-3H-isoindol-1-one",
"role": "assistant"
}
] |
298,831 | {
"selfies": "[C][N][C][=N][N][=C][Ring1][Branch1][C][Branch1][C][F][Branch2][Branch1][Ring2][C][=C][C][=C][C][Branch2][Ring2][Branch2][N][C][C][=C][Branch2][Ring1][N][C][=C][Branch1][N][C][N][C][Branch1][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][Ring2][=O][=C][Ring2][Ring1][O][C][Branch1][C][F][C][O][C][Ring1][Branch1]",
"smiles": "Cn1cnnc1C(F)(c1cccc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)c1)C1(F)COC1"
} | 2-[3-[(R)-fluoro-(3-fluorooxetan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[(1-methylcyclobutyl)amino]methyl]-4-(trifluoromethyl)-3H-isoindol-1-one | [
{
"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": "2-[3-[(R)-fluoro-(3-fluorooxetan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[(1-methylcyclobutyl)amino]methyl]-4-(trifluoromethyl)-3H-isoindol-1-one",
"role": "assistant"
}
] |
298,832 | {
"selfies": "[C][O][C][=C][C][Branch1][C][C][=N][C][=C][C][=C][Branch2][Ring1][C][C][=C][Branch1][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch2][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][Ring1][#C]",
"smiles": "COc1cc(C)nc2ccc(C3=C(C)C4CCC(C3)O4)cc12"
} | 4-methoxy-2-methyl-6-[(5R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]quinoline | [
{
"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": "4-methoxy-2-methyl-6-[(5R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]quinoline",
"role": "assistant"
}
] |
298,833 | {
"selfies": "[C][C][C][Branch1][C][C][=C][S][C][Branch1][Ring2][C][C][N][=C][Branch1][C][C][C][Ring1][=Branch2][=N]",
"smiles": "CCC(C)=C1SC(CCN)=C(C)C1=N"
} | 2-[(5E)-5-butan-2-ylidene-4-imino-3-methylthiophen-2-yl]ethanamine | [
{
"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-[(5E)-5-butan-2-ylidene-4-imino-3-methylthiophen-2-yl]ethanamine",
"role": "assistant"
}
] |
298,834 | {
"selfies": "[C][C][C][C][S][C][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=N][N][=C][Ring1][=N][C][=Ring1][S][Cl]",
"smiles": "CCCc1sc2c(NCc3cccs3)cnnc2c1Cl"
} | 7-chloro-6-propyl-N-(thiophen-2-ylmethyl)thieno[3,2-c]pyridazin-4-amine | [
{
"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": "7-chloro-6-propyl-N-(thiophen-2-ylmethyl)thieno[3,2-c]pyridazin-4-amine",
"role": "assistant"
}
] |
298,835 | {
"selfies": "[C][N][C][=C][Branch2][Branch1][Ring1][C][C][=C][N][C][Branch2][Ring1][P][N][C][C][C][N][Branch2][Ring1][Ring2][C][=N][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][=N][C][C][Ring2][Ring1][Ring2][=C][N][=C][Ring2][Ring1][=Branch2][N][=Ring2][Ring1][=N][C][=N][Ring2][Ring2][C]",
"smiles": "Cn1cc(-c2ccn3c(N4CCCN(c5ncc(Cc6ccccc6)cn5)CC4)cnc3n2)cn1"
} | 3-[4-(5-benzylpyrimidin-2-yl)-1,4-diazepan-1-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine | [
{
"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-[4-(5-benzylpyrimidin-2-yl)-1,4-diazepan-1-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine",
"role": "assistant"
}
] |
298,836 | {
"selfies": "[C][C][C][=Branch1][C][=O][O][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][O][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][Ring2][Ring2][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][C][Ring2][Ring1][Branch2][O]",
"smiles": "CCC(=O)OC1C(OC(C)=O)C(OC(C)=O)C(C)(C)C=CC(C)C(OC(C)=O)C2(O)CC3(C)OC(=O)CCC1(OC(C)=O)C(OC(=O)c1ccccc1)C2C3O"
} | [(2R,3S,4S,5E,8S,9R,10R,11S,16R,17R,18R)-3,8,9,11-tetraacetyloxy-2,17-dihydroxy-4,7,7,16-tetramethyl-14-oxo-10-propanoyloxy-15-oxatricyclo[9.6.1.12,16]nonadec-5-en-18-yl] benzoate | [
{
"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,3S,4S,5E,8S,9R,10R,11S,16R,17R,18R)-3,8,9,11-tetraacetyloxy-2,17-dihydroxy-4,7,7,16-tetramethyl-14-oxo-10-propanoyloxy-15-oxatricyclo[9.6.1.12,16]nonadec-5-en-18-yl] benzoate",
"role": "assistant"
}
] |
298,838 | {
"selfies": "[C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][=C][C][=N][C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][N][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][#C][=C][Branch1][N][C][=C][C][=N][C][Branch1][C][Br][=C][Ring1][#Branch1][NH1][Ring2][Ring1][O][C][=C][Ring2][Ring1][P]",
"smiles": "CC(C)OC(=O)Nc1ccc(-c2nc(-c3cccc(OCCN4CCOCC4)c3)c(-c3ccnc(Br)c3)[nH]2)cc1"
} | propan-2-yl N-[4-[5-(2-bromopyridin-4-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazol-2-yl]phenyl]carbamate | [
{
"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": "propan-2-yl N-[4-[5-(2-bromopyridin-4-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazol-2-yl]phenyl]carbamate",
"role": "assistant"
}
] |
298,840 | {
"selfies": "[N][C][Branch2][Ring1][Ring1][C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][C][C][Ring1][#C]",
"smiles": "NC1(COc2cc(F)ccc2[N+](=O)[O-])CC1"
} | 1-[(5-fluoro-2-nitrophenoxy)methyl]cyclopropan-1-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": "1-[(5-fluoro-2-nitrophenoxy)methyl]cyclopropan-1-amine",
"role": "assistant"
}
] |
298,841 | {
"selfies": "[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch2][Ring2][#C][N][Branch2][Ring1][#C][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Branch1][Ring1][C][#N][=C][Ring1][P][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][P][F]",
"smiles": "CC(C)OC(=O)C=Cc1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)c(C#N)c2)C(=O)C2CCCCC2)c1F"
} | propan-2-yl (E)-3-[3-[[3-cyano-4-[4-(dimethylamino)phenyl]phenyl]methyl-(cyclohexanecarbonyl)amino]-2-fluorophenyl]prop-2-enoate | [
{
"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": "propan-2-yl (E)-3-[3-[[3-cyano-4-[4-(dimethylamino)phenyl]phenyl]methyl-(cyclohexanecarbonyl)amino]-2-fluorophenyl]prop-2-enoate",
"role": "assistant"
}
] |
298,842 | {
"selfies": "[C][C][Branch1][C][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][C][C][C][=Branch2][Ring2][Ring2][=C][C][C][C][Branch1][C][C][C][C][C][=N][O][C][=Ring1][Branch1][C][Branch1][C][C][Branch1][Ring1][C][O][C][Ring1][=N][C][C][C][Ring1][P][Ring2][Ring1][=Branch1][C][C][Ring2][Ring2][Branch1][C][Ring2][Ring2][#Branch2]",
"smiles": "CC1(C)CCC2(C(=O)OCc3ccccc3)CCC3(C)C(=CCC4C5(C)Cc6cnoc6C(C)(CO)C5CCC43C)C2C1"
} | benzyl (1R,2S,5S,10S,14R,15R,22R,23R)-22-(hydroxymethyl)-1,2,8,8,15,22-hexamethyl-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylate | [
{
"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": "benzyl (1R,2S,5S,10S,14R,15R,22R,23R)-22-(hydroxymethyl)-1,2,8,8,15,22-hexamethyl-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylate",
"role": "assistant"
}
] |
298,843 | {
"selfies": "[C][C][=C][C][=C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][P][C][C][=C][Ring2][Ring1][N]",
"smiles": "Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC(C)c3cnccn3)ccc2C)cc1"
} | 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(1-pyrazin-2-ylethyl)benzamide | [
{
"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": "4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(1-pyrazin-2-ylethyl)benzamide",
"role": "assistant"
}
] |
298,844 | {
"selfies": "[C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][N][C][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]",
"smiles": "COc1cc(C(=O)O)ccc1NC(=O)C1NC(CC(C)(C)C)C(CNCc2ccncc2)(c2ccc(Cl)cc2)C1c1cccc(Cl)c1"
} | 4-[[(2R,3R,4S,5S)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-(2,2-dimethylpropyl)-4-[(pyridin-4-ylmethylamino)methyl]pyrrolidine-2-carbonyl]amino]-3-methoxybenzoic 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": "4-[[(2R,3R,4S,5S)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-5-(2,2-dimethylpropyl)-4-[(pyridin-4-ylmethylamino)methyl]pyrrolidine-2-carbonyl]amino]-3-methoxybenzoic acid",
"role": "assistant"
}
] |
298,845 | {
"selfies": "[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][N][=C][N][Ring1][Branch1][C][O][C][C][Branch1][C][O][C][Ring1][=Branch1][O][C][Ring1][#Branch2][C][Ring2][Ring1][C][=O]",
"smiles": "CCOc1ccccc1NC1=CC(=O)c2c(nc3n2C2OCC(O)C2OC3)C1=O"
} | (2S,5R,6R)-13-(2-ethoxyanilino)-5-hydroxy-3,7-dioxa-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-9,11(16),13-triene-12,15-dione | [
{
"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": "(2S,5R,6R)-13-(2-ethoxyanilino)-5-hydroxy-3,7-dioxa-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-9,11(16),13-triene-12,15-dione",
"role": "assistant"
}
] |
298,846 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring2][N][C][N][=C][C][=C][Branch2][Ring1][C][N][C][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][C][=C][N][Ring1][P][C][=Ring2][Ring1][Ring2][C][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring1]",
"smiles": "COc1ccc(-c2nc3cc(N4CCN(C5CCCC5)CC4)ccn3c2CN2CCOCC2)c(OC)c1"
} | 4-[[7-(4-cyclopentylpiperazin-1-yl)-2-(2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine | [
{
"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": "4-[[7-(4-cyclopentylpiperazin-1-yl)-2-(2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine",
"role": "assistant"
}
] |
298,847 | {
"selfies": "[C][#C][C][=N][C][Branch1][O][C][=C][C][=C][C][=Branch1][C][=O][N][O][=C][S][Ring1][=N]",
"smiles": "C#Cc1nc(C=CC=CC(=O)NO)cs1"
} | (2E,4E)-5-(2-ethynyl-1,3-thiazol-4-yl)-N-hydroxypenta-2,4-dienamide | [
{
"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": "(2E,4E)-5-(2-ethynyl-1,3-thiazol-4-yl)-N-hydroxypenta-2,4-dienamide",
"role": "assistant"
}
] |
298,849 | {
"selfies": "[N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][C][Branch2][Ring1][N][N][N][=N][C][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=C][N][=C][Ring1][#C][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch1][O]",
"smiles": "NS(=O)(=O)OCC1CC(n2nnc3c(NCc4ccccc4F)ncnc32)CC1O"
} | [(1S,2S,4R)-4-[7-[(2-fluorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2-hydroxycyclopentyl]methyl sulfamate | [
{
"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": "[(1S,2S,4R)-4-[7-[(2-fluorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2-hydroxycyclopentyl]methyl sulfamate",
"role": "assistant"
}
] |
298,851 | {
"selfies": "[O][C][=C][Branch1][C][O][C][Branch1][C][O][=C][C][=Branch1][C][=S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]",
"smiles": "Oc1c(O)c(O)c2c(=S)cc(-c3ccccc3)oc2c1-c1ccc(C(F)(F)F)cc1"
} | 5,6,7-trihydroxy-2-phenyl-8-[4-(trifluoromethyl)phenyl]chromene-4-thione | [
{
"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": "5,6,7-trihydroxy-2-phenyl-8-[4-(trifluoromethyl)phenyl]chromene-4-thione",
"role": "assistant"
}
] |
298,852 | {
"selfies": "[N][C][=Branch1][C][=S][N][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][#C][C][=C][C][=C][Branch1][=N][N][C][C][Branch1][Ring1][C][O][O][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][F][=C][Ring2][Ring1][#Branch1]",
"smiles": "NC(=S)Nc1cccc(C#Cc2ccc(N3CC(CO)OC3=O)cc2F)c1"
} | [3-[2-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]ethynyl]phenyl]thiourea | [
{
"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": "[3-[2-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]ethynyl]phenyl]thiourea",
"role": "assistant"
}
] |
298,853 | {
"selfies": "[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O]",
"smiles": "O=C(Nc1ccc(Br)cc1)N1CCCC1c1nc(-c2ccccc2)cs1"
} | (2S)-N-(4-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-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)-N-(4-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide",
"role": "assistant"
}
] |
298,854 | {
"selfies": "[C][C][Branch2][Ring2][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][P][O][C][C][O][Ring2][Ring1][Ring1][C][=C][C][=N][C][=C][Ring1][=Branch1]",
"smiles": "CC(NS(=O)(=O)c1cc2c(c(C(=O)Nc3ccc(F)c(Cl)c3)c1)OCCO2)c1ccncc1"
} | N-(3-chloro-4-fluorophenyl)-7-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]-2,3-dihydro-1,4-benzodioxine-5-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": "N-(3-chloro-4-fluorophenyl)-7-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide",
"role": "assistant"
}
] |
Subsets and Splits