id
int64 0
300k
| molecules
dict | ground_truth
stringlengths 7
2.47k
| messages
listlengths 3
3
|
---|---|---|---|
297,759 | {
"selfies": "[C][N][N][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][N][C][=C][N][=N][Ring1][Branch1]",
"smiles": "Cn1nncc1C(=O)NC1CN(CC2=CCCCC2)CC1n1ccnn1"
} | N-[(3R,4S)-1-(cyclohexen-1-ylmethyl)-4-(triazol-1-yl)pyrrolidin-3-yl]-3-methyltriazole-4-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": "N-[(3R,4S)-1-(cyclohexen-1-ylmethyl)-4-(triazol-1-yl)pyrrolidin-3-yl]-3-methyltriazole-4-carboxamide",
"role": "assistant"
}
] |
297,760 | {
"selfies": "[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][S][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring1][#Branch1]",
"smiles": "CCOc1ccccc1C(C)NC(=O)C1CSC2(C)CCC(=O)N12"
} | (3R,7aS)-N-[1-(2-ethoxyphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-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": "(3R,7aS)-N-[1-(2-ethoxyphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide",
"role": "assistant"
}
] |
297,761 | {
"selfies": "[C][C][N][Branch1][Branch2][C][=N][C][=N][NH1][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Br]",
"smiles": "CCN(c1ncn[nH]1)S(=O)(=O)c1ccc(C)cc1Br"
} | 2-bromo-N-ethyl-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide | [
{
"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-bromo-N-ethyl-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide",
"role": "assistant"
}
] |
297,763 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][C][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][O][C]",
"smiles": "CCOC(=O)c1c(NC(=O)CN2CCc3c(cnn3-c3ccccc3)C2)sc(C(N)=O)c1C"
} | ethyl 5-carbamoyl-4-methyl-2-[[2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]thiophene-3-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": "ethyl 5-carbamoyl-4-methyl-2-[[2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)acetyl]amino]thiophene-3-carboxylate",
"role": "assistant"
}
] |
297,764 | {
"selfies": "[C][N][Branch1][N][C][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][C][=C][C][=N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S]",
"smiles": "CN(CC1CC(O)CN1)c1ccnc(C(=O)NCc2ccccc2)c1"
} | N-benzyl-4-[[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl-methylamino]pyridine-2-carboxamide | [
{
"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": "N-benzyl-4-[[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl-methylamino]pyridine-2-carboxamide",
"role": "assistant"
}
] |
297,765 | {
"selfies": "[C][C][=N][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][=C][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C]",
"smiles": "Cc1nn(CC(F)(F)F)c(C)c1S(=O)(=O)Nc1noc(C)c1C"
} | N-(4,5-dimethyl-1,2-oxazol-3-yl)-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide | [
{
"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-(4,5-dimethyl-1,2-oxazol-3-yl)-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide",
"role": "assistant"
}
] |
297,766 | {
"selfies": "[C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][Branch2][Ring1][=Branch2][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N][O][Ring1][=C][=C][Ring2][Ring1][Branch2][C]",
"smiles": "Cc1cc(S(N)(=O)=O)cc(-c2nc(-c3ccc(C(C)C)cc3)no2)c1C"
} | 3,4-dimethyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide | [
{
"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": "3,4-dimethyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide",
"role": "assistant"
}
] |
297,767 | {
"selfies": "[O][=C][Branch2][Ring1][#C][C][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][C][O][C][C][C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring2][Ring1][C][N][C][C][C][C][C][O][C][C][C][Ring1][=Branch1][Ring1][#Branch2]",
"smiles": "O=C(C1CCC(C(=O)N2CCCC3COCCC32)CC1)N1CCCC2COCCC21"
} | [4-(2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine-1-carbonyl)cyclohexyl]-(2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-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> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "[4-(2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine-1-carbonyl)cyclohexyl]-(2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-1-yl)methanone",
"role": "assistant"
}
] |
297,768 | {
"selfies": "[C][C][Branch1][C][C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][#C][=O][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2]",
"smiles": "CC(C)(Cn1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1=O)Oc1cc(F)cc(F)c1"
} | 3-[2-(3,5-difluorophenoxy)-2-methylpropyl]-6-(trifluoromethyl)-1H-quinazoline-2,4-dione | [
{
"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-[2-(3,5-difluorophenoxy)-2-methylpropyl]-6-(trifluoromethyl)-1H-quinazoline-2,4-dione",
"role": "assistant"
}
] |
297,769 | {
"selfies": "[C][N][C][C][N][Branch2][Branch1][#Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring2][#Branch1][=O]",
"smiles": "CN1CCN(c2ccc(Br)cc2NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)c2)CC1=O"
} | 3-(4-benzylpiperidin-1-yl)sulfonyl-N-[5-bromo-2-(4-methyl-3-oxopiperazin-1-yl)phenyl]-4-chlorobenzamide | [
{
"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": "3-(4-benzylpiperidin-1-yl)sulfonyl-N-[5-bromo-2-(4-methyl-3-oxopiperazin-1-yl)phenyl]-4-chlorobenzamide",
"role": "assistant"
}
] |
297,770 | {
"selfies": "[C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][C][C][C][C][C][Ring1][Branch1][C][Ring1][=C][C][Ring2][Ring1][Ring2]",
"smiles": "CNC(=O)C1CC(=O)N(C2CN(C(=O)COCC3CCCC3)C2)C1"
} | 1-[1-[2-(cyclopentylmethoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide | [
{
"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": "1-[1-[2-(cyclopentylmethoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide",
"role": "assistant"
}
] |
297,771 | {
"selfies": "[C][O][C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][N][Branch1][C][C][C][C][=C][Ring1][=N][=C][Ring2][Ring1][Ring1][C]",
"smiles": "COCCn1nc(C)c(-c2ccc(CNCCN(C)C)cc2)c1C"
} | N-[[4-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine | [
{
"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-[[4-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine",
"role": "assistant"
}
] |
297,772 | {
"selfies": "[C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Branch1][O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][C]",
"smiles": "Cc1occc1C(=O)N1CC(Nc2ncccn2)C(c2cn(C)cn2)C1"
} | (2-methylfuran-3-yl)-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone | [
{
"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-methylfuran-3-yl)-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone",
"role": "assistant"
}
] |
297,773 | {
"selfies": "[C][C][C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Branch1][O][Ring2][Ring1][Branch2]",
"smiles": "CC1Cc2cccc(S(=O)(=O)N3CCc4sccc4C3C(=O)O)c2O1"
} | 5-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic 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-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid",
"role": "assistant"
}
] |
297,774 | {
"selfies": "[N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][S][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=N][Ring1][=Branch2][C][C][Ring1][#C]",
"smiles": "NCc1ccccc1C1CCN(c2cc(C3CC3)ncn2)CC1"
} | [2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]phenyl]methanamine | [
{
"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-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]phenyl]methanamine",
"role": "assistant"
}
] |
297,775 | {
"selfies": "[C][C][C][=C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=N][O][Ring2][Ring1][Ring2]",
"smiles": "CCc1cc(CNC(=O)c2c[nH]c(=O)c3ccccc23)no1"
} | N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-1-oxo-2H-isoquinoline-4-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": "N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide",
"role": "assistant"
}
] |
297,776 | {
"selfies": "[Br][C][=C][N][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][O][C][Ring1][Branch1][C][C][=N][NH1][C][=Ring1][Branch1]",
"smiles": "Brc1cncnc1NCC1CCOC1c1cn[nH]c1"
} | 5-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-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": "5-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine",
"role": "assistant"
}
] |
297,777 | {
"selfies": "[C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][C][Ring1][=C]",
"smiles": "CCC(=O)NC1CCN(C(=O)c2nc(C)no2)CC1"
} | N-[1-(3-methyl-1,2,4-oxadiazole-5-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": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "N-[1-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperidin-4-yl]propanamide",
"role": "assistant"
}
] |
297,778 | {
"selfies": "[O][=C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][O][C][=C][C][=C][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"smiles": "O=C(Nc1nnc(-c2ccccn2)s1)c1cccc2nccnc12"
} | N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide | [
{
"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": "N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide",
"role": "assistant"
}
] |
297,779 | {
"selfies": "[C][O][C][C][C][Branch1][#C][C][N][C][=N][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][Cl][N][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Branch1]",
"smiles": "COC1CC(CNc2nccc(C)c2Cl)N(c2ccncn2)C1"
} | 3-chloro-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-4-methylpyridin-2-amine | [
{
"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-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-4-methylpyridin-2-amine",
"role": "assistant"
}
] |
297,780 | {
"selfies": "[O][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][=N][N][Ring1][O][C][C][Branch1][C][O][C][O][C][C][C][O][C][C][Ring1][=Branch1]",
"smiles": "O=c1c2cc(Cl)ccc2nnn1CC(O)COC1CCOCC1"
} | 6-chloro-3-[2-hydroxy-3-(oxan-4-yloxy)propyl]-1,2,3-benzotriazin-4-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": "6-chloro-3-[2-hydroxy-3-(oxan-4-yloxy)propyl]-1,2,3-benzotriazin-4-one",
"role": "assistant"
}
] |
297,781 | {
"selfies": "[C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][O]",
"smiles": "COC(=O)NC(C)(C(=O)O)C(C)O"
} | 3-hydroxy-2-(methoxycarbonylamino)-2-methylbutanoic 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": "3-hydroxy-2-(methoxycarbonylamino)-2-methylbutanoic acid",
"role": "assistant"
}
] |
297,782 | {
"selfies": "[O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring1][P]",
"smiles": "O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1"
} | N-(3-benzoylphenyl)-4-(1,3-dioxoisoindol-2-yl)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 for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "N-(3-benzoylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide",
"role": "assistant"
}
] |
297,783 | {
"selfies": "[C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1]",
"smiles": "Cc1cccc(S(=O)(=O)NS(=O)(=O)CCc2ccccc2)c1"
} | 3-methyl-N-(2-phenylethylsulfonyl)benzenesulfonamide | [
{
"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-methyl-N-(2-phenylethylsulfonyl)benzenesulfonamide",
"role": "assistant"
}
] |
297,784 | {
"selfies": "[C][C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][N][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][F]",
"smiles": "CCc1nc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)NC)nn1-c1ccccc1F"
} | N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-5-ethyl-1-(2-fluorophenyl)-1,2,4-triazole-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-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-5-ethyl-1-(2-fluorophenyl)-1,2,4-triazole-3-carboxamide",
"role": "assistant"
}
] |
297,785 | {
"selfies": "[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][C][C][C][Ring1][Ring2][S][Ring1][P][=C][Ring2][Ring1][#Branch2]",
"smiles": "NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(=O)NC(C3CCC3)C3CCC3)s2)c1"
} | 2-N-[di(cyclobutyl)methyl]-5-N-(3-sulfamoylphenyl)thiophene-2,5-dicarboxamide | [
{
"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-N-[di(cyclobutyl)methyl]-5-N-(3-sulfamoylphenyl)thiophene-2,5-dicarboxamide",
"role": "assistant"
}
] |
297,786 | {
"selfies": "[C][=C][Branch2][Ring1][Ring2][C][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][C][Ring1][O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "C=C(Cn1c(-c2ccncc2)noc1=O)c1ccccc1"
} | 4-(2-phenylprop-2-enyl)-3-pyridin-4-yl-1,2,4-oxadiazol-5-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": "4-(2-phenylprop-2-enyl)-3-pyridin-4-yl-1,2,4-oxadiazol-5-one",
"role": "assistant"
}
] |
297,787 | {
"selfies": "[C][C][N][C][=C][N][=C][Ring1][Branch1][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][C][Branch2][Ring1][C][N][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][F][F][=N][C][Ring1][=C][=C][Ring2][Ring1][C]",
"smiles": "CCn1ccnc1CN(C)S(=O)(=O)c1ccc2sc(NCC(C)(C)C(C)(F)F)nc2c1"
} | 2-[(3,3-difluoro-2,2-dimethylbutyl)amino]-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,3-benzothiazole-5-sulfonamide | [
{
"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-[(3,3-difluoro-2,2-dimethylbutyl)amino]-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,3-benzothiazole-5-sulfonamide",
"role": "assistant"
}
] |
297,788 | {
"selfies": "[C][C][O][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2][=C][C][=C][Ring1][P][O][C]",
"smiles": "CCOc1cc(NC(=O)c2ccc(C)c(F)c2)ccc1OC"
} | N-(3-ethoxy-4-methoxyphenyl)-3-fluoro-4-methylbenzamide | [
{
"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-(3-ethoxy-4-methoxyphenyl)-3-fluoro-4-methylbenzamide",
"role": "assistant"
}
] |
297,789 | {
"selfies": "[C][N][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][C][C][Ring1][O][=C][Ring2][Ring1][C][C][C][C][C][Ring1][Ring2]",
"smiles": "Cn1ccc(C(=O)N2CCN(c3ncc[nH]3)CC2)c1C1CCC1"
} | (2-cyclobutyl-1-methylpyrrol-3-yl)-[4-(1H-imidazol-2-yl)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> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "(2-cyclobutyl-1-methylpyrrol-3-yl)-[4-(1H-imidazol-2-yl)piperazin-1-yl]methanone",
"role": "assistant"
}
] |
297,790 | {
"selfies": "[C][O][C][=C][C][=C][O][C][Branch1][C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][Branch1][P][C][C][=C][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=Ring1][#Branch2][=N][O][Ring1][#C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2]",
"smiles": "COc1ccc2oc(C)c(-c3nc(-c4ccc5n[nH]c(=O)n5c4)no3)c2c1"
} | 6-[5-(5-methoxy-2-methyl-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-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-[5-(5-methoxy-2-methyl-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one",
"role": "assistant"
}
] |
297,791 | {
"selfies": "[C][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][C][Ring1][#Branch1][=C][Ring1][O]",
"smiles": "CCc1nn(C)cc1-c1ccc2cc(O)ccc2c1"
} | 6-(3-ethyl-1-methylpyrazol-4-yl)naphthalen-2-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": "6-(3-ethyl-1-methylpyrazol-4-yl)naphthalen-2-ol",
"role": "assistant"
}
] |
297,792 | {
"selfies": "[C][C][C][=C][C][=N][C][Branch2][Ring1][#C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][#C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][=C][N][Ring2][Ring1][=Branch2][C][=Ring2][Ring1][=N]",
"smiles": "Cc1ccc2nc(COC(=O)c3cnc4c(cnn4Cc4ccccc4)c3)cn2c1"
} | (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-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": "(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate",
"role": "assistant"
}
] |
297,793 | {
"selfies": "[C][C][=N][N][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][C][C][Ring1][Ring2]",
"smiles": "Cc1nn2cccnc2c1S(=O)(=O)N(CC(F)(F)F)C1CCC1"
} | N-cyclobutyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide | [
{
"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-cyclobutyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide",
"role": "assistant"
}
] |
297,794 | {
"selfies": "[O][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=N][Ring1][O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][NH1][Ring1][O]",
"smiles": "O=C(NCc1ccc(N2CCCC2)cn1)c1nc(-c2ccccn2)n[nH]1"
} | 3-pyridin-2-yl-N-[(5-pyrrolidin-1-ylpyridin-2-yl)methyl]-1H-1,2,4-triazole-5-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": "3-pyridin-2-yl-N-[(5-pyrrolidin-1-ylpyridin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide",
"role": "assistant"
}
] |
297,795 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][Branch2][Ring1][=N][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2]",
"smiles": "CC(C)(C)OC(=O)N1CC2CC2(c2nc(-c3cccc(Cl)c3)nn2-c2ccccc2)C1"
} | tert-butyl (1S,5S)-1-[5-(3-chlorophenyl)-2-phenyl-1,2,4-triazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-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": "tert-butyl (1S,5S)-1-[5-(3-chlorophenyl)-2-phenyl-1,2,4-triazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate",
"role": "assistant"
}
] |
297,796 | {
"selfies": "[C][C][Branch1][C][C][N][N][=C][C][=C][C][Branch2][Ring1][=C][C][N][C][Branch1][C][Br][=N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][#Branch2][Ring1][=C][=C][N][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2]",
"smiles": "CC(C)n1ncc2cc(Cn3c(Br)nc4c(=O)n(C)c(=O)n(C)c43)cnc21"
} | 8-bromo-1,3-dimethyl-9-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methyl]purine-2,6-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": "8-bromo-1,3-dimethyl-9-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methyl]purine-2,6-dione",
"role": "assistant"
}
] |
297,797 | {
"selfies": "[C][C][=N][N][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][=N][Br][S][Ring2][Ring1][=Branch1]",
"smiles": "Cc1nnc(C(=O)Nc2nn(Cc3ccccc3F)cc2Br)s1"
} | N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3,4-thiadiazole-2-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": "N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide",
"role": "assistant"
}
] |
297,798 | {
"selfies": "[C][O][C][=N][N][=C][Branch2][Ring1][Branch2][C][N][C][C][C][Branch1][Ring1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][S][Ring2][Ring1][Ring2]",
"smiles": "COc1nnc(CN2CCC(CO)(c3ccccc3)CC2)s1"
} | [1-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-4-phenylpiperidin-4-yl]methanol | [
{
"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-methoxy-1,3,4-thiadiazol-2-yl)methyl]-4-phenylpiperidin-4-yl]methanol",
"role": "assistant"
}
] |
297,799 | {
"selfies": "[C][C][Branch1][C][C][Branch2][Ring1][=Branch2][C][C][=C][N][Branch1][#C][C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][#C][C][=Branch1][C][=O][O]",
"smiles": "CC(C)(Cc1cn(CC(O)Cc2ccccc2)nn1)C(=O)O"
} | 3-[1-(2-hydroxy-3-phenylpropyl)triazol-4-yl]-2,2-dimethylpropanoic 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": "3-[1-(2-hydroxy-3-phenylpropyl)triazol-4-yl]-2,2-dimethylpropanoic acid",
"role": "assistant"
}
] |
297,800 | {
"selfies": "[C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=N][N][Ring2][Ring1][Branch1][C]",
"smiles": "Cc1c(C(=O)NC(C(=O)O)c2ccc3c(c2)CCO3)cnn1C"
} | 2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]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-(2,3-dihydro-1-benzofuran-5-yl)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]acetic acid",
"role": "assistant"
}
] |
297,801 | {
"selfies": "[C][C][N][=C][S][C][=Ring1][Branch1][C][N][C][Branch1][C][C][C][C][Branch1][C][C][C][#N]",
"smiles": "Cc1ncsc1CNC(C)CC(C)C#N"
} | 2-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pentanenitrile | [
{
"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-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pentanenitrile",
"role": "assistant"
}
] |
297,802 | {
"selfies": "[C][O][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1]",
"smiles": "COC1(C(=O)N2CCC(O)C2)CCN(C(=O)c2ccc(=O)[nH]c2)CC1"
} | 5-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-4-methoxypiperidine-1-carbonyl]-1H-pyridin-2-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": "5-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-4-methoxypiperidine-1-carbonyl]-1H-pyridin-2-one",
"role": "assistant"
}
] |
297,803 | {
"selfies": "[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring1][P][C][=N][Ring2][Ring1][#Branch2]",
"smiles": "CN(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cn1"
} | 1-(3,4-difluorophenyl)sulfonyl-N-[6-(dimethylamino)pyridin-3-yl]piperidine-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 denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "1-(3,4-difluorophenyl)sulfonyl-N-[6-(dimethylamino)pyridin-3-yl]piperidine-4-carboxamide",
"role": "assistant"
}
] |
297,804 | {
"selfies": "[C][O][C][=C][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][Branch1][C][O][C][C][C][C][C][C][Ring1][Branch1][C][=N][C][=Ring1][S][C][=C][Ring2][Ring1][Ring2][F]",
"smiles": "COc1cc2c(=O)n(CC(O)CC3CCCC3)cnc2cc1F"
} | 3-(3-cyclopentyl-2-hydroxypropyl)-7-fluoro-6-methoxyquinazolin-4-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": "3-(3-cyclopentyl-2-hydroxypropyl)-7-fluoro-6-methoxyquinazolin-4-one",
"role": "assistant"
}
] |
297,805 | {
"selfies": "[O][=C][N][C][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Branch2][N][Ring2][Ring1][N]",
"smiles": "O=C1NCc2ccc(C(=O)Nc3nc4c(Cl)cccc4n3CC(F)(F)F)cc2N1"
} | N-[4-chloro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2-oxo-3,4-dihydro-1H-quinazoline-7-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 denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "N-[4-chloro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2-oxo-3,4-dihydro-1H-quinazoline-7-carboxamide",
"role": "assistant"
}
] |
297,806 | {
"selfies": "[O][=C][Branch2][Ring1][Branch1][N][C][C][=N][N][Branch1][O][C][C][N][C][C][O][C][Ring1][Branch1][=O][C][=Ring1][=N][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][=Branch2]",
"smiles": "O=C(Nc1cnn(CCN2CCOC2=O)c1)c1ccc2c3c(cccc13)CC2"
} | N-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrazol-4-yl]-1,2-dihydroacenaphthylene-5-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": "N-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrazol-4-yl]-1,2-dihydroacenaphthylene-5-carboxamide",
"role": "assistant"
}
] |
297,807 | {
"selfies": "[C][C][=C][Branch2][Ring2][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][N][C][=N][C][=N][C][N][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1][=C][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring2][Cl][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring2][Branch1][C]",
"smiles": "Cc1c(NS(=O)(=O)c2cc(C(=O)NNc3ncnc4nc[nH]c34)cc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C"
} | 2,3-dichloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(7H-purin-6-ylamino)carbamoyl]benzenesulfonamide | [
{
"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": "2,3-dichloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(7H-purin-6-ylamino)carbamoyl]benzenesulfonamide",
"role": "assistant"
}
] |
297,808 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][N][=C][Ring2][Ring1][Ring2]",
"smiles": "COC(=O)c1ccc(NCc2ccc(C(=O)NC3CC3)cc2)nc1"
} | methyl 6-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]pyridine-3-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": "methyl 6-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]pyridine-3-carboxylate",
"role": "assistant"
}
] |
297,809 | {
"selfies": "[C][C][O][C][C][C][N][Branch2][Ring2][#Branch2][C][=C][C][Branch2][Ring1][Ring2][N][C][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][#Branch1][C][C][O][Ring2][Ring1][=N]",
"smiles": "CCOCC1CN(c2cc(N3CCCN(c4ccncc4)CC3)nc(C(F)(F)F)n2)CCO1"
} | 2-(ethoxymethyl)-4-[6-(4-pyridin-4-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]morpholine | [
{
"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-(ethoxymethyl)-4-[6-(4-pyridin-4-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]morpholine",
"role": "assistant"
}
] |
297,810 | {
"selfies": "[C][O][C][=C][C][=C][O][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2]",
"smiles": "COc1ccc2occ(C(=O)NC(Cc3cncc(F)c3)C(=O)O)c2c1"
} | 3-(5-fluoropyridin-3-yl)-2-[(5-methoxy-1-benzofuran-3-carbonyl)amino]propanoic 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": "3-(5-fluoropyridin-3-yl)-2-[(5-methoxy-1-benzofuran-3-carbonyl)amino]propanoic acid",
"role": "assistant"
}
] |
297,811 | {
"selfies": "[O][=S][=Branch1][C][=O][Branch1][S][C][C][=C][S][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][S][Ring1][=N]",
"smiles": "O=S(=O)(Cc1csc(C2CC2)n1)Cc1nc2cc(C(F)(F)F)ccc2s1"
} | 2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-5-(trifluoromethyl)-1,3-benzothiazole | [
{
"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-[(2-cyclopropyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-5-(trifluoromethyl)-1,3-benzothiazole",
"role": "assistant"
}
] |
297,812 | {
"selfies": "[C][C][=N][C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][=N][NH1][Ring2][Ring1][#Branch2]",
"smiles": "Cc1nc(-c2ccc(NC(=O)CNC(=O)Cc3ccc(O)cc3)cc2)n[nH]1"
} | 2-(4-hydroxyphenyl)-N-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide | [
{
"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-(4-hydroxyphenyl)-N-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide",
"role": "assistant"
}
] |
297,813 | {
"selfies": "[C][N][N][=C][C][=C][Ring1][Branch1][C][N][Branch1][S][C][=N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][Ring1][=Branch2][C][C][C][Ring1][Ring1]",
"smiles": "Cn1nccc1CN(c1nccc(C(=O)O)n1)C1CC1"
} | 2-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic 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-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic acid",
"role": "assistant"
}
] |
297,814 | {
"selfies": "[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=N][O][C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N][=N][Ring1][P]",
"smiles": "COc1ccccc1NC(=O)Cc1noc(-c2csc(-c3ccccc3F)n2)n1"
} | 2-[5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)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-[5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide",
"role": "assistant"
}
] |
297,815 | {
"selfies": "[O][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][=C][C][=C][C][=C][N][Ring2][Ring1][#Branch2][Ring1][=Branch1]",
"smiles": "O=c1c([N+](=O)[O-])c(NCC(N2CCNCC2)C(F)(F)F)nc2ccccn12"
} | 3-nitro-2-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]pyrido[1,2-a]pyrimidin-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": "3-nitro-2-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]pyrido[1,2-a]pyrimidin-4-one",
"role": "assistant"
}
] |
297,816 | {
"selfies": "[C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C]",
"smiles": "Cc1cc(NC(=O)CC2=Cc3ccccc3C2)cc(=O)n1C"
} | N-(1,2-dimethyl-6-oxopyridin-4-yl)-2-(1H-inden-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": "N-(1,2-dimethyl-6-oxopyridin-4-yl)-2-(1H-inden-2-yl)acetamide",
"role": "assistant"
}
] |
297,817 | {
"selfies": "[C][C][Branch2][Ring2][P][C][C][N][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][#Branch1][O][C][C][O][Ring2][Ring1][#C]",
"smiles": "CC1(CCNc2ccc(S(=O)(=O)N3CCCC3C(C)(C)CO)c(C(F)(F)F)n2)OCCO1"
} | 2-methyl-2-[1-[6-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-2-(trifluoromethyl)pyridin-3-yl]sulfonylpyrrolidin-2-yl]propan-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": "2-methyl-2-[1-[6-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-2-(trifluoromethyl)pyridin-3-yl]sulfonylpyrrolidin-2-yl]propan-1-ol",
"role": "assistant"
}
] |
297,818 | {
"selfies": "[C][N][C][=C][C][Branch2][Ring1][#Branch2][N][C][C][C][Branch1][S][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Ring1][S][=O][=N][Ring2][Ring1][=Branch1]",
"smiles": "Cn1ccc(N2CCC(Nc3cnc4ccccc4n3)C2=O)n1"
} | 1-(1-methylpyrazol-3-yl)-3-(quinoxalin-2-ylamino)pyrrolidin-2-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": "1-(1-methylpyrazol-3-yl)-3-(quinoxalin-2-ylamino)pyrrolidin-2-one",
"role": "assistant"
}
] |
297,819 | {
"selfies": "[C][C][C][=Branch1][C][=O][N][C][=N][NH1][C][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][N][=Ring1][=Branch2]",
"smiles": "CCC(=O)Nc1n[nH]c2cc(C)n(C)c(=O)c12"
} | N-(5,6-dimethyl-4-oxo-1H-pyrazolo[4,3-c]pyridin-3-yl)propanamide | [
{
"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": "N-(5,6-dimethyl-4-oxo-1H-pyrazolo[4,3-c]pyridin-3-yl)propanamide",
"role": "assistant"
}
] |
297,820 | {
"selfies": "[C][C][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][P][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][N][=N][Ring2][Ring1][#Branch1]",
"smiles": "CCN1CCC2CCC(C1)N2C(=O)c1cn(-c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)nn1"
} | 3-[5-[4-(3-ethyl-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-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": "3-[5-[4-(3-ethyl-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione",
"role": "assistant"
}
] |
297,821 | {
"selfies": "[C][N][C][C][O][C][Branch2][Ring2][Ring1][C][N][=C][Branch2][Ring1][Branch1][C][=C][NH1][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][N][N][Branch1][C][C][N][=Ring2][Ring1][C][C][Ring2][Ring1][Branch2]",
"smiles": "CN1CCOC(c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)n(C)n2)C1"
} | [4-[2-methyl-5-(4-methylmorpholin-2-yl)-1,2,4-triazol-3-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone | [
{
"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-methyl-5-(4-methylmorpholin-2-yl)-1,2,4-triazol-3-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone",
"role": "assistant"
}
] |
297,822 | {
"selfies": "[C][N][C][=N][N][=C][Ring1][Branch1][C][C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][=N][C][Ring2][Ring1][Branch1]",
"smiles": "Cn1cnnc1C1CCCN(C(=O)C2CCCN(C(=O)c3ccoc3)C2)C1"
} | [1-(furan-3-carbonyl)piperidin-3-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone | [
{
"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-(furan-3-carbonyl)piperidin-3-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone",
"role": "assistant"
}
] |
297,823 | {
"selfies": "[C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][Branch1][C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][C]",
"smiles": "Cc1cccc(OC(C)c2nnc3n2CC2CCC(C3)N2)c1C"
} | 4-[1-(2,3-dimethylphenoxy)ethyl]-3,5,6,12-tetrazatricyclo[7.2.1.03,7]dodeca-4,6-diene | [
{
"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-[1-(2,3-dimethylphenoxy)ethyl]-3,5,6,12-tetrazatricyclo[7.2.1.03,7]dodeca-4,6-diene",
"role": "assistant"
}
] |
297,824 | {
"selfies": "[C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][N][=C][O][N][=Ring1][Branch1]",
"smiles": "Cc1[nH]c2ccccc2c1CC(=O)N1CCOCC1c1ncon1"
} | 2-(2-methyl-1H-indol-3-yl)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone | [
{
"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-(2-methyl-1H-indol-3-yl)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone",
"role": "assistant"
}
] |
297,825 | {
"selfies": "[C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Ring1][#C]",
"smiles": "CS(=O)(=O)CC(=O)NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1"
} | 2-methylsulfonyl-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]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-methylsulfonyl-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]acetamide",
"role": "assistant"
}
] |
297,826 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=N][N][Branch1][=N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=Ring1][O][C][=C][Ring1][P][C][Branch1][C][F][Branch1][C][F][F]",
"smiles": "COc1ccc(-c2cnn(C(C)(C)C(=O)O)c2)cc1C(F)(F)F"
} | 2-[4-[4-methoxy-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-2-methylpropanoic 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": "2-[4-[4-methoxy-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-2-methylpropanoic acid",
"role": "assistant"
}
] |
297,827 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][=N][C][N][C][=N][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][C][=Ring1][N][C][Ring1][S][=O][=N][N][C][=Ring2][Ring1][#Branch1][C][C][C][C][Ring1][=Branch1]",
"smiles": "COC(=O)c1c(Cn2cnc3sc(-c4ccccc4)c(C)c3c2=O)nn2c1CCCC2"
} | methyl 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate | [
{
"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 2-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate",
"role": "assistant"
}
] |
297,828 | {
"selfies": "[O][=C][Branch2][Ring1][Branch2][N][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=Ring1][Branch1][C][C][Ring1][=C][C][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch2]",
"smiles": "O=C(NC1CCCN(C(=O)c2cc[nH]c2)CC1)C1CCCC2(CCC2)C1"
} | N-[1-(1H-pyrrole-3-carbonyl)azepan-4-yl]spiro[3.5]nonane-8-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 denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "N-[1-(1H-pyrrole-3-carbonyl)azepan-4-yl]spiro[3.5]nonane-8-carboxamide",
"role": "assistant"
}
] |
297,829 | {
"selfies": "[O][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][=N][NH1][C][=Ring1][Branch1][C][C][C][N][C][Ring1][Branch1]",
"smiles": "O=C(Cc1cccc(Cl)c1)Nc1cn[nH]c1C1CCNC1"
} | 2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide | [
{
"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-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide",
"role": "assistant"
}
] |
297,830 | {
"selfies": "[O][=C][Branch1][C][O][C][N][C][C][C][C][C][N][Branch2][Ring1][#Branch1][C][C][C][=C][N][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][=Ring1][=N][C][Ring2][Ring1][Ring2]",
"smiles": "O=C(O)CNCC1CCCN(Cc2ccn(-c3ccc(F)cc3F)n2)C1"
} | 2-[[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methylamino]acetic 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": "2-[[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methylamino]acetic acid",
"role": "assistant"
}
] |
297,831 | {
"selfies": "[C][C][=C][C][=N][C][Branch2][Ring2][#Branch1][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][NH1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][Ring1][=C][=C][Ring2][Ring1][=C]",
"smiles": "Cc1ccnc(-n2nc(C)cc2NC(=O)NC2CCc3[nH]c4ccc(C)cc4c3C2)c1"
} | 1-[5-methyl-2-(4-methylpyridin-2-yl)pyrazol-3-yl]-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-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 represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "1-[5-methyl-2-(4-methylpyridin-2-yl)pyrazol-3-yl]-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea",
"role": "assistant"
}
] |
297,832 | {
"selfies": "[C][C][C][Branch1][C][O][Branch2][Ring1][=Branch2][C][N][C][=C][C][=C][C][Branch1][=N][C][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][=C][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"smiles": "CCC(O)(CNc1cccc(CN2CCCS2(=O)=O)c1)C(F)(F)F"
} | 2-[[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]anilino]methyl]-1,1,1-trifluorobutan-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": "2-[[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]anilino]methyl]-1,1,1-trifluorobutan-2-ol",
"role": "assistant"
}
] |
297,833 | {
"selfies": "[C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "Cc1nc2ccccn2c1C(=O)NNC(=O)NC1CC2CCCC(C1)N2Cc1ccccc1"
} | 1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea | [
{
"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": "1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea",
"role": "assistant"
}
] |
297,834 | {
"selfies": "[C][N][Branch2][Ring1][C][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][Ring1][S]",
"smiles": "CN(Cc1nc(-c2cccs2)no1)C(=O)C(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1"
} | N-[4-(7-chloro-1,3-benzothiazol-2-yl)phenyl]-N'-methyl-N'-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]oxamide | [
{
"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": "N-[4-(7-chloro-1,3-benzothiazol-2-yl)phenyl]-N'-methyl-N'-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]oxamide",
"role": "assistant"
}
] |
297,835 | {
"selfies": "[C][C][N][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1]",
"smiles": "CCN(C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1)C1CCCC1"
} | N-cyclopentyl-N-ethyl-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-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": "N-cyclopentyl-N-ethyl-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide",
"role": "assistant"
}
] |
297,836 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=N][O][C][Branch2][Ring1][Branch1][N][C][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1][O][C]",
"smiles": "COc1ccc(-c2noc(NC3CCC(C(=O)N(C)C)CC3)n2)cc1OC"
} | 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]-N,N-dimethylcyclohexane-1-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": "4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]-N,N-dimethylcyclohexane-1-carboxamide",
"role": "assistant"
}
] |
297,837 | {
"selfies": "[C][C][=N][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][N][C][C][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][=N][Ring2][Ring1][=Branch1]",
"smiles": "Cc1ncc(C(C)NCC(CO)Cc2ccccc2C)c(C)n1"
} | 2-[[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]methyl]-3-(2-methylphenyl)propan-1-ol | [
{
"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": "2-[[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]methyl]-3-(2-methylphenyl)propan-1-ol",
"role": "assistant"
}
] |
297,838 | {
"selfies": "[C][#C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F]",
"smiles": "C#CCC(C)OC(=O)c1ccccc1F"
} | pent-4-yn-2-yl 2-fluorobenzoate | [
{
"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": "pent-4-yn-2-yl 2-fluorobenzoate",
"role": "assistant"
}
] |
297,839 | {
"selfies": "[C][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2]",
"smiles": "CN1C(=O)C(NC(=O)NC2CC2(F)c2ccccc2)Cc2ccccc21"
} | 1-(2-fluoro-2-phenylcyclopropyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea | [
{
"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-fluoro-2-phenylcyclopropyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea",
"role": "assistant"
}
] |
297,840 | {
"selfies": "[O][C][Branch2][Ring1][=Branch2][C][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][=Branch1][C][Branch1][C][O][C][C][O][C][Ring1][=Branch1]",
"smiles": "OC(Cn1c(C(F)(F)F)nc2c1CCCC2)C1(O)CCOC1"
} | 3-[1-hydroxy-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]ethyl]oxolan-3-ol | [
{
"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-[1-hydroxy-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]ethyl]oxolan-3-ol",
"role": "assistant"
}
] |
297,841 | {
"selfies": "[C][C][=N][C][Branch1][Ring1][C][#N][=C][Branch2][Ring1][P][N][C][C][C][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][O][Ring1][N][C][C][Ring2][Ring1][C][O][Ring2][Ring1][=Branch2]",
"smiles": "Cc1nc(C#N)c(N2CCC(c3nc(-c4cccc(Cl)c4)no3)CC2)o1"
} | 5-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile | [
{
"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-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile",
"role": "assistant"
}
] |
297,842 | {
"selfies": "[O][C][=C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Ring1][Branch1][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2]",
"smiles": "Oc1ccc2cc(-c3cccc4c3ccn4CCN3CCCC3)ccc2c1"
} | 6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]naphthalen-2-ol | [
{
"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": "6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]naphthalen-2-ol",
"role": "assistant"
}
] |
297,843 | {
"selfies": "[C][C][N][=C][Branch2][Ring2][O][N][C][C][N][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][=C][Cl][C][C][Ring2][Ring1][Branch2][S][C][=Ring2][Ring1][=N][C]",
"smiles": "Cc1nc(N2CCN(S(=O)(=O)c3ccc(N4CCCOC(C)C4)cc3Cl)CC2)sc1C"
} | 4-[3-chloro-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,4-oxazepane | [
{
"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-[3-chloro-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,4-oxazepane",
"role": "assistant"
}
] |
297,844 | {
"selfies": "[O][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][C][Ring1][Ring1]",
"smiles": "O=C(NCC(O)c1ccc2ccccc2c1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1"
} | 1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-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 denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide",
"role": "assistant"
}
] |
297,845 | {
"selfies": "[C][C][C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][C][C][N][Branch1][N][C][=C][C][Branch1][C][F][=N][C][=N][Ring1][#Branch1][C][Ring1][N][C][C][Ring2][Ring1][C][C][C][C][Ring2][Ring1][Branch2]",
"smiles": "CCCC1(C(=O)N2CCC(C3CCN(c4cc(F)ncn4)C3)CC2)CCC1"
} | [4-[1-(6-fluoropyrimidin-4-yl)pyrrolidin-3-yl]piperidin-1-yl]-(1-propylcyclobutyl)methanone | [
{
"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": "[4-[1-(6-fluoropyrimidin-4-yl)pyrrolidin-3-yl]piperidin-1-yl]-(1-propylcyclobutyl)methanone",
"role": "assistant"
}
] |
297,846 | {
"selfies": "[C][C][S][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][S][N][=N][Ring1][Branch1]",
"smiles": "Cc1sc(C(=O)O)cc1S(=O)(=O)NC(C)c1csnn1"
} | 5-methyl-4-[1-(thiadiazol-4-yl)ethylsulfamoyl]thiophene-2-carboxylic 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-methyl-4-[1-(thiadiazol-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid",
"role": "assistant"
}
] |
297,847 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][P][N][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][C][C][C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2]",
"smiles": "COc1ccc(-n2ccc(CNC3CCCc4c3[nH]c3ccccc43)n2)cc1"
} | N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-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 denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine",
"role": "assistant"
}
] |
297,848 | {
"selfies": "[O][=C][Branch1][S][N][C][Branch1][Ring1][C][O][C][C][Branch1][C][F][Branch1][C][F][F][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][O]",
"smiles": "O=C(NC(CO)CC(F)(F)F)c1sc2ccccc2c1C(=O)O"
} | 2-[(4,4,4-trifluoro-1-hydroxybutan-2-yl)carbamoyl]-1-benzothiophene-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> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "2-[(4,4,4-trifluoro-1-hydroxybutan-2-yl)carbamoyl]-1-benzothiophene-3-carboxylic acid",
"role": "assistant"
}
] |
297,849 | {
"selfies": "[O][=C][C][C][C][Branch2][Ring2][=Branch2][N][C][C][=C][Branch2][Ring1][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][=C][C][=C][C][=C][Branch1][Ring2][C][C][O][C][=C][Ring1][=Branch2][N][=N][Ring1][=C][C][Ring2][Ring1][#Branch1][=O][C][=Branch1][C][=O][N][Ring2][Ring1][#C]",
"smiles": "O=C1CCC(N2Cc3c(cccc3-n3cc(-c4ccc(CCO)cc4)nn3)C2=O)C(=O)N1"
} | 3-[7-[4-[4-(2-hydroxyethyl)phenyl]triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-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 for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "3-[7-[4-[4-(2-hydroxyethyl)phenyl]triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione",
"role": "assistant"
}
] |
297,850 | {
"selfies": "[C][C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][Ring1][O][C][C][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][C]",
"smiles": "CCc1ccc(NC(=O)C2(C)CC(OC)CN2C)cc1"
} | N-(4-ethylphenyl)-4-methoxy-1,2-dimethylpyrrolidine-2-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": "N-(4-ethylphenyl)-4-methoxy-1,2-dimethylpyrrolidine-2-carboxamide",
"role": "assistant"
}
] |
297,851 | {
"selfies": "[C][C][C][Branch2][Ring1][Ring1][N][C][=N][C][=N][N][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][O][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1]",
"smiles": "CCC(Nc1ncnn2c(C#N)ccc12)c1cccc(C)n1"
} | 4-[1-(6-methylpyridin-2-yl)propylamino]pyrrolo[2,1-f][1,2,4]triazine-7-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-[1-(6-methylpyridin-2-yl)propylamino]pyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile",
"role": "assistant"
}
] |
297,852 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][Branch1][C][O][C][C][C][Ring1][Branch1]",
"smiles": "COC(=O)c1cc(Br)ccc1OCC1(O)CCC1"
} | methyl 5-bromo-2-[(1-hydroxycyclobutyl)methoxy]benzoate | [
{
"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 5-bromo-2-[(1-hydroxycyclobutyl)methoxy]benzoate",
"role": "assistant"
}
] |
297,853 | {
"selfies": "[C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][Ring2][Ring1][#Branch1]",
"smiles": "CC(O)C(F)(F)C(=O)N1CCc2ccccc2C(NC(=O)Cn2ccc(=O)[nH]c2=O)C1"
} | N-[3-(2,2-difluoro-3-hydroxybutanoyl)-1,2,4,5-tetrahydro-3-benzazepin-5-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide | [
{
"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-(2,2-difluoro-3-hydroxybutanoyl)-1,2,4,5-tetrahydro-3-benzazepin-5-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide",
"role": "assistant"
}
] |
297,854 | {
"selfies": "[O][=C][N][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1][C][O][Ring2][Ring1][O]",
"smiles": "O=C1Nc2ccc(C(=O)Nc3ccccc3S(=O)(=O)C3CCCC3)cc2CO1"
} | N-(2-cyclopentylsulfonylphenyl)-2-oxo-1,4-dihydro-3,1-benzoxazine-6-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 denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "N-(2-cyclopentylsulfonylphenyl)-2-oxo-1,4-dihydro-3,1-benzoxazine-6-carboxamide",
"role": "assistant"
}
] |
297,855 | {
"selfies": "[C][C][=C][C][=C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][Ring1][=N]",
"smiles": "CC=CC=CC(=O)N1CCc2ccc(S(N)(=O)=O)cc21"
} | 1-[(2E,4E)-hexa-2,4-dienoyl]-2,3-dihydroindole-6-sulfonamide | [
{
"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": "1-[(2E,4E)-hexa-2,4-dienoyl]-2,3-dihydroindole-6-sulfonamide",
"role": "assistant"
}
] |
297,856 | {
"selfies": "[C][C][Branch2][Branch1][C][N][C][=N][C][=C][C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][O][=C][C][=C][Ring2][Ring1][Ring2][S][Ring2][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2]",
"smiles": "CC(Nc1nc2cc(S(=O)(=O)N3CC(S(=O)(=O)C(F)(F)F)C3)ccc2s1)c1cc2ccccc2o1"
} | N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5-[3-(trifluoromethylsulfonyl)azetidin-1-yl]sulfonyl-1,3-benzothiazol-2-amine | [
{
"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": "N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5-[3-(trifluoromethylsulfonyl)azetidin-1-yl]sulfonyl-1,3-benzothiazol-2-amine",
"role": "assistant"
}
] |
297,857 | {
"selfies": "[C][N][C][=N][C][=C][C][Branch2][Ring1][O][N][C][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][O][C][N][=N][Ring1][Branch2][C][Branch1][Ring1][O][C][C][Ring1][S][=N][Ring2][Ring1][=Branch1]",
"smiles": "CNc1nccc(N2CC(Nc3ccc(OC)nn3)C(OC)C2)n1"
} | 6-methoxy-N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyridazin-3-amine | [
{
"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-methoxy-N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyridazin-3-amine",
"role": "assistant"
}
] |
297,858 | {
"selfies": "[C][C][C][O][C][C][C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][Ring1][#Branch2]",
"smiles": "CCC1OCCC1NC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2"
} | N-[(2S,3R)-2-ethyloxolan-3-yl]-N'-(1,1,3-trioxo-4H-1lambda6,4-benzothiazin-7-yl)oxamide | [
{
"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": "N-[(2S,3R)-2-ethyloxolan-3-yl]-N'-(1,1,3-trioxo-4H-1lambda6,4-benzothiazin-7-yl)oxamide",
"role": "assistant"
}
] |
297,859 | {
"selfies": "[F][C][=C][C][Branch2][Ring2][Ring1][C][=N][O][C][Branch2][Ring1][Branch2][C][N][=C][O][C][=Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][=C][C][=C][Ring2][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]",
"smiles": "Fc1cc(-c2noc(-c3ncoc3-c3ccc4c(c3)OCCO4)n2)ccc1C(F)(F)F"
} | 5-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole | [
{
"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": "5-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole",
"role": "assistant"
}
] |
Subsets and Splits