id
int64 0
300k
| molecules
dict | ground_truth
stringlengths 7
2.47k
| messages
listlengths 3
3
|
---|---|---|---|
297,554 | {
"selfies": "[C][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][=C][Ring2][Ring1][Ring2][Cl]",
"smiles": "COCCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccnc2N(C)C)c1Cl"
} | 2,6-dichloro-N-[[2-(dimethylamino)pyridin-3-yl]methyl]-3-(2-methoxyethylsulfonyl)benzamide | [
{
"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-dichloro-N-[[2-(dimethylamino)pyridin-3-yl]methyl]-3-(2-methoxyethylsulfonyl)benzamide",
"role": "assistant"
}
] |
297,555 | {
"selfies": "[C][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][P][C][C][C][=C][Branch1][Ring1][C][#N][N][Branch1][C][C][C][=Ring1][Branch2][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][Ring1][#Branch2]",
"smiles": "C=CS(=O)(=O)N(Cc1cc(C#N)n(C)c1C)CC1(C(=O)N(C)C)CCCC1"
} | 1-[[(5-cyano-1,2-dimethylpyrrol-3-yl)methyl-ethenylsulfonylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "1-[[(5-cyano-1,2-dimethylpyrrol-3-yl)methyl-ethenylsulfonylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide",
"role": "assistant"
}
] |
297,556 | {
"selfies": "[C][N][N][=C][C][=C][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][C][#N][C][C][Branch1][C][O][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1]",
"smiles": "Cn1nccc1-c1ccc(C(=O)N2CCN(C(=O)CCCC#N)CC(O)C2)cc1"
} | 5-[6-hydroxy-4-[4-(2-methylpyrazol-3-yl)benzoyl]-1,4-diazepan-1-yl]-5-oxopentanenitrile | [
{
"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-[6-hydroxy-4-[4-(2-methylpyrazol-3-yl)benzoyl]-1,4-diazepan-1-yl]-5-oxopentanenitrile",
"role": "assistant"
}
] |
297,557 | {
"selfies": "[C][S][=Branch1][C][=N][=Branch1][C][=O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][O][Ring1][#Branch1]",
"smiles": "CS(=N)(=O)CCNS(=O)(=O)c1cccc2cncc(Br)c12"
} | 4-bromo-N-[2-(methylsulfonimidoyl)ethyl]isoquinoline-5-sulfonamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "4-bromo-N-[2-(methylsulfonimidoyl)ethyl]isoquinoline-5-sulfonamide",
"role": "assistant"
}
] |
297,558 | {
"selfies": "[C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=C][C][=N][S][Ring1][Branch1][=C][Ring2][Ring1][C]",
"smiles": "Cc1cccc(CN(CC(=O)O)Cc2ccns2)c1"
} | 2-[(3-methylphenyl)methyl-(1,2-thiazol-5-ylmethyl)amino]acetic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "2-[(3-methylphenyl)methyl-(1,2-thiazol-5-ylmethyl)amino]acetic acid",
"role": "assistant"
}
] |
297,559 | {
"selfies": "[C][N][C][Branch2][Ring1][#C][N][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][Ring2][Ring1][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring1][#Branch2][=O]",
"smiles": "Cn1c(N2CCC(NC(=O)Cc3cn4ccccc4n3)C2)cc(=O)n(C)c1=O"
} | N-[(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)pyrrolidin-3-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide | [
{
"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-[(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)pyrrolidin-3-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide",
"role": "assistant"
}
] |
297,560 | {
"selfies": "[O][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][=C][C][=C][Ring1][=N][Ring1][=Branch2][C][=C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][N][=N][Ring1][#Branch2]",
"smiles": "O=C(Nc1cccc2c(C(=O)O)nccc12)c1cn(CC(F)(F)F)nn1"
} | 5-[[1-(2,2,2-trifluoroethyl)triazole-4-carbonyl]amino]isoquinoline-1-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": "5-[[1-(2,2,2-trifluoroethyl)triazole-4-carbonyl]amino]isoquinoline-1-carboxylic acid",
"role": "assistant"
}
] |
297,561 | {
"selfies": "[C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"smiles": "CC(=O)NC(CC(C)C)C(=O)NC1c2ccccc2CC1NC(=O)Cc1ccc(Cl)cc1"
} | 2-acetamido-N-[(1R,2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide | [
{
"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-acetamido-N-[(1R,2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide",
"role": "assistant"
}
] |
297,562 | {
"selfies": "[O][=C][Branch1][#Branch2][C][C][C][C][N][C][Ring1][Branch1][=O][N][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][F]",
"smiles": "O=C(CC1CCNC1=O)NCC(O)CNC(=O)c1ncccc1F"
} | 3-fluoro-N-[2-hydroxy-3-[[2-[(3S)-2-oxopyrrolidin-3-yl]acetyl]amino]propyl]pyridine-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": "3-fluoro-N-[2-hydroxy-3-[[2-[(3S)-2-oxopyrrolidin-3-yl]acetyl]amino]propyl]pyridine-2-carboxamide",
"role": "assistant"
}
] |
297,563 | {
"selfies": "[C][C][C][C][C][=C][C][=C][Branch2][Ring2][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Branch1][Cl][C][=C][Ring2][Ring1][S]",
"smiles": "CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N(Cc3cccc(Br)c3)C(C)C)c(Cl)cc2Cl)cc1"
} | N-[(3-bromophenyl)methyl]-5-[(4-butylphenyl)sulfamoyl]-2,4-dichloro-N-propan-2-ylbenzamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "N-[(3-bromophenyl)methyl]-5-[(4-butylphenyl)sulfamoyl]-2,4-dichloro-N-propan-2-ylbenzamide",
"role": "assistant"
}
] |
297,564 | {
"selfies": "[C][C][C][=C][Branch2][Ring1][Ring2][C][N][Branch1][Ring2][C][C][#N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][O][N][=Ring1][S]",
"smiles": "Cc1cc(CN(CC#N)S(=O)(=O)N(C)C)on1"
} | 2-[dimethylsulfamoyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetonitrile | [
{
"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-[dimethylsulfamoyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetonitrile",
"role": "assistant"
}
] |
297,565 | {
"selfies": "[C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][=C][Ring1][#Branch1]",
"smiles": "Cc1c(C(=O)NC(Cc2ccccc2)C(=O)Nc2ccccc2)oc2c(C)cccc12"
} | N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3,7-dimethyl-1-benzofuran-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-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide",
"role": "assistant"
}
] |
297,567 | {
"selfies": "[C][N][Branch1][P][C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2]",
"smiles": "CN(CC(C)(O)c1ccccc1)c1nnc(C(F)(F)F)s1"
} | 1-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-phenylpropan-2-ol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "1-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-phenylpropan-2-ol",
"role": "assistant"
}
] |
297,568 | {
"selfies": "[O][=N+1][Branch1][C][O-1][C][=C][N][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]",
"smiles": "O=[N+]([O-])c1cnccc1N=Cc1c[nH]c2ccccc12"
} | 1-(1H-indol-3-yl)-N-(3-nitropyridin-4-yl)methanimine | [
{
"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": "1-(1H-indol-3-yl)-N-(3-nitropyridin-4-yl)methanimine",
"role": "assistant"
}
] |
297,569 | {
"selfies": "[C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][P][N][C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring1][#C][C]",
"smiles": "CNC(=O)Cn1nc(NCc2cc(O)cc(Cl)c2)cc1C"
} | 2-[3-[(3-chloro-5-hydroxyphenyl)methylamino]-5-methylpyrazol-1-yl]-N-methylacetamide | [
{
"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-[3-[(3-chloro-5-hydroxyphenyl)methylamino]-5-methylpyrazol-1-yl]-N-methylacetamide",
"role": "assistant"
}
] |
297,570 | {
"selfies": "[C][O][C][C][C][Branch2][Ring1][=N][N][Branch2][Ring1][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][C][=Branch1][C][=O][C][Cl][C][Ring2][Ring1][Branch1]",
"smiles": "COC1CC(N(Cc2cnn(-c3ccccc3)n2)C(=O)CCl)C1"
} | 2-chloro-N-(3-methoxycyclobutyl)-N-[(2-phenyltriazol-4-yl)methyl]acetamide | [
{
"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-chloro-N-(3-methoxycyclobutyl)-N-[(2-phenyltriazol-4-yl)methyl]acetamide",
"role": "assistant"
}
] |
297,571 | {
"selfies": "[N][C][=N][C][=C][Branch2][Ring1][Ring1][N][C][C][C][C][C][O][C][C][C][Ring1][Branch1][C][C][Ring1][O][Ring1][#Branch1][N][=C][N][=C][Ring2][Ring1][C][S][Ring2][Ring1][Branch1]",
"smiles": "Nc1nc2c(NC3CCCC45OCCC4CC35)ncnc2s1"
} | 7-N-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine | [
{
"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": "7-N-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine",
"role": "assistant"
}
] |
297,572 | {
"selfies": "[C][C][N][N][=N][C][=C][C][Branch2][Ring1][Ring2][C][N][Branch1][C][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1]",
"smiles": "CCn1nnc2cc(CN(C)Cc3cc(Br)ccc3OC)ccc21"
} | N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-ethylbenzotriazol-5-yl)-N-methylmethanamine | [
{
"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-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-ethylbenzotriazol-5-yl)-N-methylmethanamine",
"role": "assistant"
}
] |
297,573 | {
"selfies": "[O][=C][Branch1][N][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][O][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=N]",
"smiles": "O=C(CS(=O)(=O)CCO)NC1CCN(C(=O)C2CCOCC2)C1"
} | 2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide",
"role": "assistant"
}
] |
297,574 | {
"selfies": "[O][=N+1][Branch1][C][O-1][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][O][Ring1][O][=N][NH1][Ring1][S]",
"smiles": "O=[N+]([O-])c1cc(-c2nc(C3CCCCC3)no2)n[nH]1"
} | 3-cyclohexyl-5-(5-nitro-1H-pyrazol-3-yl)-1,2,4-oxadiazole | [
{
"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-cyclohexyl-5-(5-nitro-1H-pyrazol-3-yl)-1,2,4-oxadiazole",
"role": "assistant"
}
] |
297,575 | {
"selfies": "[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][NH1][N][=C][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1]",
"smiles": "CC1c2ccccc2OC1CNC(=O)C(N)Cc1[nH]nc2ccccc12"
} | 2-amino-3-(2H-indazol-3-yl)-N-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]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": "2-amino-3-(2H-indazol-3-yl)-N-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide",
"role": "assistant"
}
] |
297,576 | {
"selfies": "[C][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1]",
"smiles": "Cc1ncc(C(=O)O)cc1NS(=O)(=O)c1ccc2c(c1)CCCC2"
} | 6-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pyridine-3-carboxylic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "6-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pyridine-3-carboxylic acid",
"role": "assistant"
}
] |
297,577 | {
"selfies": "[N][C][C][C][C][C][C][N][Branch2][Ring1][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][Ring1][P]",
"smiles": "NCCC1CCCN(c2noc(-c3ccccc3)n2)C1"
} | 2-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine | [
{
"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-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine",
"role": "assistant"
}
] |
297,578 | {
"selfies": "[C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S][=C][C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][=C]",
"smiles": "CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)ccc21"
} | 1-acetyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3,4-dihydro-2H-quinoline-6-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 of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "1-acetyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide",
"role": "assistant"
}
] |
297,579 | {
"selfies": "[O][=C][Branch1][S][N][C][C][=N][N][=C][C][=C][C][=N][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][N][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N]",
"smiles": "O=C(NCc1nnc2cccnn12)c1cncc(-c2ccccc2)c1"
} | 5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-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": "5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide",
"role": "assistant"
}
] |
297,580 | {
"selfies": "[C][N][Branch2][Ring1][Branch1][C][C][=C][S][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][Ring1][O][C][C][C][C][C][Branch1][C][N][C][Ring1][#Branch1]",
"smiles": "CN(Cc1csc(-c2cnn(C)c2)n1)C1CCCC(N)C1"
} | 1-N-methyl-1-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1,3-diamine | [
{
"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": "1-N-methyl-1-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1,3-diamine",
"role": "assistant"
}
] |
297,581 | {
"selfies": "[C][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][Ring1][C][C][C][C][C][Ring1][Ring1]",
"smiles": "C=CS(=O)(=O)NC(CC)C1CC1"
} | N-(1-cyclopropylpropyl)ethenesulfonamide | [
{
"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-cyclopropylpropyl)ethenesulfonamide",
"role": "assistant"
}
] |
297,582 | {
"selfies": "[O][=C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][C][N][C][C][C][C][Ring1][Branch1][C][O][Ring1][=Branch2][=N][O][Ring1][=C][=N][Ring2][Ring1][Ring2][N][C][C][C][C][Ring1][Branch1]",
"smiles": "O=C(c1cccc(-c2nc(C3CN4CCCC4CO3)no2)n1)N1CCCC1"
} | [6-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-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": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "[6-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl]-pyrrolidin-1-ylmethanone",
"role": "assistant"
}
] |
297,583 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=C][C][=C][S][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][Cl][=N][Ring1][S][C][C][Ring2][Ring1][=Branch1]",
"smiles": "CC(C)(C)OC(=O)N1CCC(c2csc(-c3ccc(S(N)(=O)=O)cc3Cl)n2)CC1"
} | tert-butyl 4-[2-(2-chloro-4-sulfamoylphenyl)-1,3-thiazol-4-yl]piperidine-1-carboxylate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "tert-butyl 4-[2-(2-chloro-4-sulfamoylphenyl)-1,3-thiazol-4-yl]piperidine-1-carboxylate",
"role": "assistant"
}
] |
297,584 | {
"selfies": "[C][N][C][=C][Branch2][Ring1][=C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][C][C][=N][NH1][C][=Ring1][Branch1][Ring1][Branch2][C][C][Ring1][#C][Branch1][C][C][C][C][=N][Ring2][Ring1][=Branch1]",
"smiles": "Cn1cc(C2CN(C(=O)C3CCc4cn[nH]c43)CC2(C)C)cn1"
} | [3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-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": "[3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)methanone",
"role": "assistant"
}
] |
297,585 | {
"selfies": "[C][C][Branch1][C][C][Branch2][Ring1][#Branch1][C][N][C][=N][C][=N][C][Branch1][O][N][C][C][C][Branch1][C][N][C][Ring1][=Branch1][=N][Ring1][N][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O]",
"smiles": "CC(C)(CNc1ncnc(N2CCC(N)C2)n1)c1coc(-c2ccccc2)n1"
} | 4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine",
"role": "assistant"
}
] |
297,586 | {
"selfies": "[C][C][N][=C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][=C][N][Ring2][Ring1][Branch2][N][=Ring2][Ring1][O]",
"smiles": "Cc1nc2ccc(C(=O)N3CCCN(S(=O)(=O)c4ccccc4)CC3)cn2n1"
} | [4-(benzenesulfonyl)-1,4-diazepan-1-yl]-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-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": "[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone",
"role": "assistant"
}
] |
297,587 | {
"selfies": "[C][Branch1][P][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][O][C][Ring1][Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][O][C][Ring1][Branch1]",
"smiles": "C(CCN1CCOCC12CCOC2)CCN1CCOCC12CCOC2"
} | 6-[5-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)pentyl]-2,9-dioxa-6-azaspiro[4.5]decane | [
{
"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": "6-[5-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)pentyl]-2,9-dioxa-6-azaspiro[4.5]decane",
"role": "assistant"
}
] |
297,588 | {
"selfies": "[C][C][=N][N][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=N]",
"smiles": "Cc1nn2ncccc2c1C(=O)N1CC(C(=O)O)C2(CCOCC2)C1"
} | 2-(2-methylpyrazolo[1,5-b]pyridazine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-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": "2-(2-methylpyrazolo[1,5-b]pyridazine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid",
"role": "assistant"
}
] |
297,589 | {
"selfies": "[C][C][C][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][Ring1][O][C][C][Ring2][Ring1][Ring1][=N][O][Ring2][Ring1][#Branch2]",
"smiles": "CCc1cc(C(=O)N2CCC(C)(Nc3nc4cc(OC)ccc4o3)CC2)no1"
} | (5-ethyl-1,2-oxazol-3-yl)-[4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4-methylpiperidin-1-yl]methanone | [
{
"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": "(5-ethyl-1,2-oxazol-3-yl)-[4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4-methylpiperidin-1-yl]methanone",
"role": "assistant"
}
] |
297,590 | {
"selfies": "[O][=C][C][C][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][O][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][P][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch2][C][C][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Br][=C][Ring1][Branch2][C][C][Ring1][O]",
"smiles": "O=C1CCN(Cc2ccc(OCCOc3ccc(Cl)cc3)cc2)C(=O)N1CC1(c2cc(F)cc(Br)c2)CC1"
} | 3-[[1-(3-bromo-5-fluorophenyl)cyclopropyl]methyl]-1-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-1,3-diazinane-2,4-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-[[1-(3-bromo-5-fluorophenyl)cyclopropyl]methyl]-1-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-1,3-diazinane-2,4-dione",
"role": "assistant"
}
] |
297,591 | {
"selfies": "[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=N][Ring1][S]",
"smiles": "CNC(=O)c1ccc(-c2ccc(OC)c(OC)c2)cn1"
} | 5-(3,4-dimethoxyphenyl)-N-methylpyridine-2-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "5-(3,4-dimethoxyphenyl)-N-methylpyridine-2-carboxamide",
"role": "assistant"
}
] |
297,592 | {
"selfies": "[C][C][=N][C][=C][Branch1][C][Br][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][NH1][Ring1][=Branch1][=N][Ring2][Ring1][Branch2]",
"smiles": "Cc1ncc(Br)c(C(=O)NC2CCCC2NC(=O)c2cnc(C)[nH]2)n1"
} | 5-bromo-2-methyl-N-[(1S,2R)-2-[(2-methyl-1H-imidazole-5-carbonyl)amino]cyclopentyl]pyrimidine-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": "5-bromo-2-methyl-N-[(1S,2R)-2-[(2-methyl-1H-imidazole-5-carbonyl)amino]cyclopentyl]pyrimidine-4-carboxamide",
"role": "assistant"
}
] |
297,593 | {
"selfies": "[C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][=C][S][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][Ring1][=C]",
"smiles": "CN(Cc1ccc2c(c1)OCO2)Cc1csc(-c2ccc3c(c2)OCO3)n1"
} | 1-(1,3-benzodioxol-5-yl)-N-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine | [
{
"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": "1-(1,3-benzodioxol-5-yl)-N-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine",
"role": "assistant"
}
] |
297,594 | {
"selfies": "[C][=N][C][=C][NH1][C][Branch2][Ring1][C][C][=C][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O][=N][C][Ring1][S][=N][Ring2][Ring1][Ring2]",
"smiles": "c1ncc2[nH]c(-c3cnc(C4CCCCC4)s3)nc2n1"
} | 2-cyclohexyl-5-(7H-purin-8-yl)-1,3-thiazole | [
{
"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-cyclohexyl-5-(7H-purin-8-yl)-1,3-thiazole",
"role": "assistant"
}
] |
297,595 | {
"selfies": "[N][#C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][O][C][C][C][Ring1][=Branch1][C][C][C][C][C][Ring1][#C]",
"smiles": "N#Cc1c(F)cccc1NCC1(NC(=O)C2=COCCC2)CCCCC1"
} | N-[1-[(2-cyano-3-fluoroanilino)methyl]cyclohexyl]-3,4-dihydro-2H-pyran-5-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-[1-[(2-cyano-3-fluoroanilino)methyl]cyclohexyl]-3,4-dihydro-2H-pyran-5-carboxamide",
"role": "assistant"
}
] |
297,596 | {
"selfies": "[C][N][Branch2][Ring1][#Branch1][C][C][C][C][Branch1][C][F][C][N][Ring1][=Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1]",
"smiles": "CN(CC1CC(F)CN1Cc1cnn(C)c1)c1ncccn1"
} | N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine | [
{
"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-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine",
"role": "assistant"
}
] |
297,597 | {
"selfies": "[C][C][N][=C][Branch1][#Branch2][C][C][C][C][N][C][C][Ring1][=Branch1][S][C][=Ring1][N][C][=N][C][Branch2][Ring1][C][C][=C][C][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][O][=N][O][Ring1][S]",
"smiles": "Cc1nc(CC2CCNCC2)sc1-c1nc(-c2ccnc(-n3ccnc3)c2)no1"
} | 3-(2-imidazol-1-ylpyridin-4-yl)-5-[4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]-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": "3-(2-imidazol-1-ylpyridin-4-yl)-5-[4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole",
"role": "assistant"
}
] |
297,598 | {
"selfies": "[C][C][=N][N][Branch1][N][C][C][Branch1][C][F][C][C][N][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]",
"smiles": "Cc1nn(CC2(F)CCNC2)c(C)c1S(=O)(=O)N1CCOCC1"
} | 4-[1-[(3-fluoropyrrolidin-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine | [
{
"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-[1-[(3-fluoropyrrolidin-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine",
"role": "assistant"
}
] |
297,599 | {
"selfies": "[C][C][N][=C][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][Ring1][=N][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][N][=Ring2][Ring1][#C]",
"smiles": "Cc1nc(-c2cccc(S(=O)(=O)NC3CC3)c2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1"
} | tert-butyl 4-[5-[3-(cyclopropylsulfamoyl)phenyl]-3-methyl-1,2,4-triazol-1-yl]piperidine-1-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": "tert-butyl 4-[5-[3-(cyclopropylsulfamoyl)phenyl]-3-methyl-1,2,4-triazol-1-yl]piperidine-1-carboxylate",
"role": "assistant"
}
] |
297,600 | {
"selfies": "[C][N][C][=C][Branch2][Ring1][=Branch2][C][N][C][C][=C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][C][Branch2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][=N][Ring2][Ring1][S]",
"smiles": "Cn1cc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c(-c2ccc3c(c2)OCCCO3)n1"
} | 3-[1-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine | [
{
"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-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine",
"role": "assistant"
}
] |
297,601 | {
"selfies": "[N][#C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring2][Ring1][=Branch1]",
"smiles": "N#Cc1ccc(OC(F)F)c(NC(=O)NC2CCC(C(=O)O)C2)c1"
} | (1R,3S)-3-[[5-cyano-2-(difluoromethoxy)phenyl]carbamoylamino]cyclopentane-1-carboxylic 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": "(1R,3S)-3-[[5-cyano-2-(difluoromethoxy)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid",
"role": "assistant"
}
] |
297,602 | {
"selfies": "[C][N][C][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][F][C][O][C][Ring1][Branch1][C][=C][Ring1][O][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch1]",
"smiles": "CN1CCOc2cccc(NCc3ccc(C4(F)COC4)cc3)c21"
} | N-[[4-(3-fluorooxetan-3-yl)phenyl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-5-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": "N-[[4-(3-fluorooxetan-3-yl)phenyl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine",
"role": "assistant"
}
] |
297,603 | {
"selfies": "[C][C][=Branch2][Ring1][=Branch2][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch2][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F]",
"smiles": "CC(=CC(=O)N1CC2CCCC(C1)C(=O)N2)c1ccccc1F"
} | 3-[(E)-3-(2-fluorophenyl)but-2-enoyl]-3,9-diazabicyclo[3.3.2]decan-10-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": "3-[(E)-3-(2-fluorophenyl)but-2-enoyl]-3,9-diazabicyclo[3.3.2]decan-10-one",
"role": "assistant"
}
] |
297,604 | {
"selfies": "[C][=C][C][=C][Branch2][Ring1][#C][N][N][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=N][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]",
"smiles": "c1ccc(-n2ncc(-c3cccc(CN4CCOCC4)c3)n2)cc1"
} | 4-[[3-(2-phenyltriazol-4-yl)phenyl]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-[[3-(2-phenyltriazol-4-yl)phenyl]methyl]morpholine",
"role": "assistant"
}
] |
297,605 | {
"selfies": "[C][N][Branch2][Ring1][=Branch2][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Br][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][Ring1][#C]",
"smiles": "CN(Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1)C(=O)Nc1cc(Br)c2c(c1)CN(C(=O)OC(C)(C)C)CCO2"
} | tert-butyl 9-bromo-7-[[[5-chloro-2-(4-chlorophenoxy)phenyl]methyl-methylcarbamoyl]amino]-3,5-dihydro-2H-1,4-benzoxazepine-4-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 denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "tert-butyl 9-bromo-7-[[[5-chloro-2-(4-chlorophenoxy)phenyl]methyl-methylcarbamoyl]amino]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate",
"role": "assistant"
}
] |
297,606 | {
"selfies": "[N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][C][N][Branch2][Ring1][O][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][S][C][C][Ring2][Ring1][=Branch1][N][=C][Ring2][Ring1][N]",
"smiles": "NC(=O)c1ccc(N2CCN(c3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)CC2)nc1"
} | 6-[4-(4-oxo-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-6-yl)piperazin-1-yl]pyridine-3-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": "6-[4-(4-oxo-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-6-yl)piperazin-1-yl]pyridine-3-carboxamide",
"role": "assistant"
}
] |
297,607 | {
"selfies": "[O][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][C][C][Ring1][=Branch1][C][=N][C][=C][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1]",
"smiles": "O=C(NCC(c1ccccc1)C1CCNCC1)c1ncc(F)c2ccccc12"
} | 4-fluoro-N-(2-phenyl-2-piperidin-4-ylethyl)isoquinoline-1-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": "4-fluoro-N-(2-phenyl-2-piperidin-4-ylethyl)isoquinoline-1-carboxamide",
"role": "assistant"
}
] |
297,608 | {
"selfies": "[C][N][C][C][N][Branch2][Ring1][#Branch2][C][C][C][N][C][=C][Branch1][=C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=C][C][C][Ring2][Ring1][#Branch1]",
"smiles": "CN1CCN(CCCn2cc(C(O)Cc3ccccc3)nn2)CC1"
} | 1-[1-[3-(4-methylpiperazin-1-yl)propyl]triazol-4-yl]-2-phenylethanol | [
{
"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": "1-[1-[3-(4-methylpiperazin-1-yl)propyl]triazol-4-yl]-2-phenylethanol",
"role": "assistant"
}
] |
297,609 | {
"selfies": "[O][=C][Branch2][Ring1][P][C][C][=C][C][=N][N][Branch1][P][C][C][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][O][Ring1][=Branch1][C][=C][Ring1][#C][C][=Ring2][Ring1][Ring1][N][C][C][C][C][Ring1][Branch1]",
"smiles": "O=C(c1ccc2nn(CCN3CC4CCC(C3)O4)cc2c1)N1CCCC1"
} | [2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]indazol-5-yl]-pyrrolidin-1-ylmethanone | [
{
"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-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]indazol-5-yl]-pyrrolidin-1-ylmethanone",
"role": "assistant"
}
] |
297,611 | {
"selfies": "[C][N][Branch2][Ring1][=N][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][C][C][Ring1][=C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]",
"smiles": "CN(CC1(NC(=O)c2cc3c(s2)CCC3)CC1)C(=O)C1CC12CCOc1ccccc12"
} | N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)cyclopropyl]methyl]-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)cyclopropyl]methyl]-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide",
"role": "assistant"
}
] |
297,612 | {
"selfies": "[O][=C][Branch1][C][O][C][=N][S][C][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=N][NH1][N][=C][Ring1][Branch1][C][=Ring1][=Branch2]",
"smiles": "O=C(O)c1nscc1S(=O)(=O)NCc1ccc2n[nH]nc2c1"
} | 4-(2H-benzotriazol-5-ylmethylsulfamoyl)-1,2-thiazole-3-carboxylic 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": "4-(2H-benzotriazol-5-ylmethylsulfamoyl)-1,2-thiazole-3-carboxylic acid",
"role": "assistant"
}
] |
297,613 | {
"selfies": "[C][N][N][=N][C][Branch2][Ring1][=Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Ring2][C][Branch1][C][F][F]",
"smiles": "Cn1nnc(CN2Cc3ccccc3CC2CC(=O)O)c1C(F)F"
} | 2-[(3S)-2-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "2-[(3S)-2-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid",
"role": "assistant"
}
] |
297,614 | {
"selfies": "[O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][O][C][C][C][C][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][O][Ring1][#Branch1]",
"smiles": "O=C(NC1CCCCC1)OCC1CCCCN1Cc1cccc2ccc(Cl)cc12"
} | [1-[(7-chloronaphthalen-1-yl)methyl]piperidin-2-yl]methyl N-cyclohexylcarbamate | [
{
"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-[(7-chloronaphthalen-1-yl)methyl]piperidin-2-yl]methyl N-cyclohexylcarbamate",
"role": "assistant"
}
] |
297,615 | {
"selfies": "[C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=C][C][O][C][C][Branch2][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][=Branch1][C][=O][N][Ring2][Ring2][N][C][Ring2][Ring2][S]",
"smiles": "CC1(C)CC2CNC(=O)c3cccc(c3)S(=O)(=O)N(c3ccc(Cl)cc3)CC=CCOCC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N2C1"
} | tert-butyl (15E)-18-(4-chlorophenyl)-7,7-dimethyl-2,10,19,19-tetraoxospiro[13-oxa-19lambda6-thia-3,9,18-triazatricyclo[18.3.1.05,9]tetracosa-1(24),15,20,22-tetraene-11,4'-piperidine]-1'-carboxylate | [
{
"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": "tert-butyl (15E)-18-(4-chlorophenyl)-7,7-dimethyl-2,10,19,19-tetraoxospiro[13-oxa-19lambda6-thia-3,9,18-triazatricyclo[18.3.1.05,9]tetracosa-1(24),15,20,22-tetraene-11,4'-piperidine]-1'-carboxylate",
"role": "assistant"
}
] |
297,616 | {
"selfies": "[C][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring2][Ring1][Ring1]",
"smiles": "CC1CCC(NC(=O)NCCC2CCCCC2C)CC1"
} | 1-(4-methylcyclohexyl)-3-[2-(2-methylcyclohexyl)ethyl]urea | [
{
"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-(4-methylcyclohexyl)-3-[2-(2-methylcyclohexyl)ethyl]urea",
"role": "assistant"
}
] |
297,617 | {
"selfies": "[C][#C][C][=C][C][=C][C][Branch1][=N][C][O][N][=C][Branch1][C][N][C][Branch1][C][F][F][=C][Ring1][=C]",
"smiles": "C#Cc1cccc(CON=C(N)C(F)F)c1"
} | N'-[(3-ethynylphenyl)methoxy]-2,2-difluoroethanimidamide | [
{
"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-ethynylphenyl)methoxy]-2,2-difluoroethanimidamide",
"role": "assistant"
}
] |
297,618 | {
"selfies": "[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=C][Branch1][N][C][C][Branch1][C][O][C][C][S][C][Ring1][=Branch1][N][=N][Ring1][N][N][=C][Ring2][Ring1][C]",
"smiles": "O=[N+]([O-])c1ccc(-n2cc(CC3(O)CCSC3)nn2)nc1"
} | 3-[[1-(5-nitropyridin-2-yl)triazol-4-yl]methyl]thiolan-3-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": "3-[[1-(5-nitropyridin-2-yl)triazol-4-yl]methyl]thiolan-3-ol",
"role": "assistant"
}
] |
297,619 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][=C][N][=C][C][Branch2][Ring1][Branch2][C][N][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][N][=C][Ring2][Ring1][Ring1]",
"smiles": "CC(C)(C)c1cncc(CN2CC(C(=O)O)C3(CCCC3)C2)c1"
} | 2-[(5-tert-butylpyridin-3-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxylic 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-[(5-tert-butylpyridin-3-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxylic acid",
"role": "assistant"
}
] |
297,620 | {
"selfies": "[Br][C][=C][C][=C][C][Branch1][N][N][C][C][O][C][C][C][N][C][Ring1][Branch1][=N][C][=C][Branch1][C][Br][C][Ring1][S][=C][Ring2][Ring1][Ring2]",
"smiles": "Brc1ccc2c(NCCOC3CCNC3)ncc(Br)c2c1"
} | 4,6-dibromo-N-(2-pyrrolidin-3-yloxyethyl)isoquinolin-1-amine | [
{
"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": "4,6-dibromo-N-(2-pyrrolidin-3-yloxyethyl)isoquinolin-1-amine",
"role": "assistant"
}
] |
297,621 | {
"selfies": "[C][N][C][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][C][C][Ring2][Ring1][Branch2]",
"smiles": "CN1CCC(CC(=O)O)(NC(=O)c2cc(O)c3ccccc3c2)CC1"
} | 2-[4-[(4-hydroxynaphthalene-2-carbonyl)amino]-1-methylpiperidin-4-yl]acetic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "2-[4-[(4-hydroxynaphthalene-2-carbonyl)amino]-1-methylpiperidin-4-yl]acetic acid",
"role": "assistant"
}
] |
297,622 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][Branch1][C][F][C][N][C][=N][C][=C][Branch2][Ring1][C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][P][=O]",
"smiles": "COC(=O)C(F)Cn1cnc2c(cnn2Cc2ccc(Cl)cc2)c1=O"
} | methyl 3-[1-[(4-chlorophenyl)methyl]-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-2-fluoropropanoate | [
{
"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": "methyl 3-[1-[(4-chlorophenyl)methyl]-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-2-fluoropropanoate",
"role": "assistant"
}
] |
297,623 | {
"selfies": "[C][N][C][=C][Branch1][C][Br][C][=C][Ring1][=Branch1][C][=N][C][Branch1][#C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][NH1][Ring1][=N]",
"smiles": "Cn1cc(Br)cc1-c1nc(N2CCC(F)(F)CC2)n[nH]1"
} | 1-[5-(4-bromo-1-methylpyrrol-2-yl)-1H-1,2,4-triazol-3-yl]-4,4-difluoropiperidine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "1-[5-(4-bromo-1-methylpyrrol-2-yl)-1H-1,2,4-triazol-3-yl]-4,4-difluoropiperidine",
"role": "assistant"
}
] |
297,624 | {
"selfies": "[C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch2][C][S][Ring1][=Branch2][=Branch1][C][=O][=O][C][Ring1][=Branch2][Branch1][C][C][C]",
"smiles": "CC(C)(C#N)c1ccccc1CN1C2CC3CCC2(CS1(=O)=O)C3(C)C"
} | 2-[2-[[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]methyl]phenyl]-2-methylpropanenitrile | [
{
"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-[2-[[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]methyl]phenyl]-2-methylpropanenitrile",
"role": "assistant"
}
] |
297,625 | {
"selfies": "[O][=C][Branch1][C][O][C][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][O][Ring2][Ring1][Ring2]",
"smiles": "O=C(O)CC1CN(Cc2cc3cc(Cl)ccc3[nH]2)CC2(CCC2)O1"
} | 2-[8-[(5-chloro-1H-indol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonan-6-yl]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-[8-[(5-chloro-1H-indol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid",
"role": "assistant"
}
] |
297,626 | {
"selfies": "[C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][Ring1][Ring2]",
"smiles": "COc1cc(C(=O)O)ccc1NC(=O)c1ccnn1CC1CCC1"
} | 4-[[2-(cyclobutylmethyl)pyrazole-3-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": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "4-[[2-(cyclobutylmethyl)pyrazole-3-carbonyl]amino]-3-methoxybenzoic acid",
"role": "assistant"
}
] |
297,627 | {
"selfies": "[C][O][C][=C][C][Branch2][Ring2][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1][=C][C][=C][Ring2][Ring1][O][F]",
"smiles": "COc1cc(N2CCN(C(=O)CCCc3ccc4c(c3)CC(=O)N4)CC2)ccc1F"
} | 5-[4-[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "5-[4-[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one",
"role": "assistant"
}
] |
297,628 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][=N][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][=N][N][Ring1][=Branch1][C][=Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][Cl]",
"smiles": "COC(=O)c1ncc(NC(=O)c2ccc3c(Br)cnn3c2)cc1Cl"
} | methyl 5-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-3-chloropyridine-2-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 denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "methyl 5-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-3-chloropyridine-2-carboxylate",
"role": "assistant"
}
] |
297,629 | {
"selfies": "[C][C][=N][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][P][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][=O][C][C][Ring2][Ring1][C]",
"smiles": "Cc1nccnc1N1CCN(C2CCc3ccccc3NC2=O)CC1"
} | 3-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-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": "3-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one",
"role": "assistant"
}
] |
297,630 | {
"selfies": "[O][=C][Branch2][Ring1][Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring1][N][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][C][C][O][Ring1][Branch2]",
"smiles": "O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCC2(CC1)CNCCO2"
} | [2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone | [
{
"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-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone",
"role": "assistant"
}
] |
297,631 | {
"selfies": "[C][C][=N][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][Ring2][C][C][N][=C][C][=C][Ring1][=Branch2][Ring1][=N][=N][N][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"smiles": "Cc1nc(C(=O)N2CCCc3cc(CCN)ccc32)nn1-c1ccc(Cl)cc1"
} | [6-(2-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-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 represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "[6-(2-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone",
"role": "assistant"
}
] |
297,632 | {
"selfies": "[O][=C][Branch2][Ring1][O][N][C][C][C][Branch1][C][O][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][S][C][C][Ring1][=Branch1][C][Ring1][#C][C][=C][C][=N][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1]",
"smiles": "O=C(NC1CC(O)C(NC(=O)C2CCSCC2)C1)c1ccnc2[nH]ncc12"
} | N-[(1R,3R,4R)-3-hydroxy-4-(thiane-4-carbonylamino)cyclopentyl]-1H-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": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "N-[(1R,3R,4R)-3-hydroxy-4-(thiane-4-carbonylamino)cyclopentyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide",
"role": "assistant"
}
] |
297,633 | {
"selfies": "[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][C][C][Ring2][Ring1][Ring2]",
"smiles": "COc1cccc2c1N(C(=O)c1ccc(-c3ccncc3)nc1)CCC2"
} | (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(6-pyridin-4-ylpyridin-3-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": "(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(6-pyridin-4-ylpyridin-3-yl)methanone",
"role": "assistant"
}
] |
297,634 | {
"selfies": "[C][C][C][Branch1][C][C][N][N][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][C][C][N][=N][Ring1][=Branch1][C][=C][Ring1][S][C]",
"smiles": "CCC(C)n1nc(C(=O)NCCc2cn(C)nn2)cc1C"
} | 1-butan-2-yl-5-methyl-N-[2-(1-methyltriazol-4-yl)ethyl]pyrazole-3-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": "1-butan-2-yl-5-methyl-N-[2-(1-methyltriazol-4-yl)ethyl]pyrazole-3-carboxamide",
"role": "assistant"
}
] |
297,635 | {
"selfies": "[C][N][C][=N][C][=C][Ring1][Branch1][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][Branch2]",
"smiles": "Cn1cncc1C(O)C(=O)N1CC2CC1CN2C(=O)c1ccc(F)c(O)c1"
} | 1-[(1S,4S)-5-(4-fluoro-3-hydroxybenzoyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-hydroxy-2-(3-methylimidazol-4-yl)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-[(1S,4S)-5-(4-fluoro-3-hydroxybenzoyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-hydroxy-2-(3-methylimidazol-4-yl)ethanone",
"role": "assistant"
}
] |
297,636 | {
"selfies": "[C][C][S][C][Branch1][#C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][=C][C][=Ring1][=N][Br]",
"smiles": "Cc1sc(CS(=O)(=O)C2CCC2)cc1Br"
} | 3-bromo-5-(cyclobutylsulfonylmethyl)-2-methylthiophene | [
{
"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-bromo-5-(cyclobutylsulfonylmethyl)-2-methylthiophene",
"role": "assistant"
}
] |
297,637 | {
"selfies": "[C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][=N][N][Branch1][O][C][C][C][C][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][=Ring1][=N][N][Ring1][P][C]",
"smiles": "Cc1cc2c(s1)c1cnn(CC3CC(C)C3)c(=O)c1n2C"
} | 4,7-dimethyl-10-[(3-methylcyclobutyl)methyl]-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-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": "4,7-dimethyl-10-[(3-methylcyclobutyl)methyl]-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one",
"role": "assistant"
}
] |
297,638 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][Branch2][Ring1][Branch1][N][C][C][C][C][Branch1][O][C][=N][NH1][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][Ring1][N][=N][C][=C][N][Ring2][Ring1][C][N][=Ring2][Ring1][Branch1]",
"smiles": "CC(C)(C)c1cc2c(N3CCCC(c4n[nH]c(=O)[nH]4)C3)nccn2n1"
} | 3-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-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": "3-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one",
"role": "assistant"
}
] |
297,639 | {
"selfies": "[C][C][=N][C][Branch1][S][O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][Branch2][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1]",
"smiles": "Cc1nc(Oc2ccc(Br)c(C)c2)c2cnn(C)c2n1"
} | 4-(4-bromo-3-methylphenoxy)-1,6-dimethylpyrazolo[3,4-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-(4-bromo-3-methylphenoxy)-1,6-dimethylpyrazolo[3,4-d]pyrimidine",
"role": "assistant"
}
] |
297,640 | {
"selfies": "[C][C][Branch2][Ring1][Branch1][C][N][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][N][C][=N][N][=C][N][Ring1][Branch1][C]",
"smiles": "CC(CNc1ccnc(N2CCOCC2)n1)c1nncn1C"
} | N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine | [
{
"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-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine",
"role": "assistant"
}
] |
297,641 | {
"selfies": "[C][C][=N][N][=C][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][C][C][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch1][C][C][Ring1][=C][O][Ring2][Ring1][=Branch1]",
"smiles": "Cc1nnc(CC(=O)N2CCN(CC3CCC4CC4C3)CC2)o1"
} | 1-[4-(3-bicyclo[4.1.0]heptanylmethyl)piperazin-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)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-[4-(3-bicyclo[4.1.0]heptanylmethyl)piperazin-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone",
"role": "assistant"
}
] |
297,642 | {
"selfies": "[C][C][=C][Branch2][Ring1][#Branch2][N][N][=N][N][=C][Ring1][Branch1][S][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=N][C]",
"smiles": "Cc1c(-n2nnnc2SC(C)c2nc3ccccc3o2)c(=O)n(-c2ccccc2)n1C"
} | 4-[5-[1-(1,3-benzoxazol-2-yl)ethylsulfanyl]tetrazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-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": "4-[5-[1-(1,3-benzoxazol-2-yl)ethylsulfanyl]tetrazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one",
"role": "assistant"
}
] |
297,643 | {
"selfies": "[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Ring1][=Branch1][S][Ring2][Ring1][Ring2]",
"smiles": "Cc1cc(C)c(S(=O)(=O)Nc2cccc3c2NC(=O)C3)s1"
} | 3,5-dimethyl-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide | [
{
"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": "3,5-dimethyl-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-2-sulfonamide",
"role": "assistant"
}
] |
297,644 | {
"selfies": "[C][C][C][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][=C][S][Ring1][S]",
"smiles": "CCCc1nc(NC(=O)C(C)c2nc(C)cs2)cs1"
} | 2-(4-methyl-1,3-thiazol-2-yl)-N-(2-propyl-1,3-thiazol-4-yl)propanamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "2-(4-methyl-1,3-thiazol-2-yl)-N-(2-propyl-1,3-thiazol-4-yl)propanamide",
"role": "assistant"
}
] |
297,645 | {
"selfies": "[C][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch1][O][N][C][C][C][=N][C][=N][NH1][Ring1][Branch1][=C][Ring2][Ring1][Ring2][C][=Ring2][Ring1][#Branch1][C]",
"smiles": "Cc1sc2nc(-c3cccnc3)nc(NCCc3ncn[nH]3)c2c1C"
} | 5,6-dimethyl-2-pyridin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]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": "5,6-dimethyl-2-pyridin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine",
"role": "assistant"
}
] |
297,646 | {
"selfies": "[O][=C][Branch2][Ring1][=Branch2][N][C][=N][N][=C][Branch1][#C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S][Ring1][#C][C][=C][C][C][O][C][Ring1][=Branch1]",
"smiles": "O=C(Nc1nnc(C2CCCc3ccccc32)s1)C1=CCCOC1"
} | N-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyran-5-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-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyran-5-carboxamide",
"role": "assistant"
}
] |
297,647 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][=C][O][C][Branch2][Ring1][Branch2][C][=C][N][Branch1][#C][C][C][C][C][C][C][Ring1][=Branch1][Branch1][C][N][C][Ring1][=Branch1][N][=N][Ring1][=N][=N][Ring2][Ring1][C]",
"smiles": "CCOC(=O)c1coc(-c2cn(C3CC4CCC3(N)C4)nn2)n1"
} | ethyl 2-[1-(1-amino-2-bicyclo[2.2.1]heptanyl)triazol-4-yl]-1,3-oxazole-4-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": "ethyl 2-[1-(1-amino-2-bicyclo[2.2.1]heptanyl)triazol-4-yl]-1,3-oxazole-4-carboxylate",
"role": "assistant"
}
] |
297,648 | {
"selfies": "[N][#C][C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Ring1][=C]",
"smiles": "N#Cc1ccc(=O)n(CC2CCCCC2)c1"
} | 1-(cyclohexylmethyl)-6-oxopyridine-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 represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "1-(cyclohexylmethyl)-6-oxopyridine-3-carbonitrile",
"role": "assistant"
}
] |
297,649 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=N][N][=C][Ring1][#Branch1][N][C][C][C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Ring1][#Branch2]",
"smiles": "CCOC(=O)c1cc(Cl)nnc1N1CCC(S(=O)(=O)NC)C1"
} | ethyl 6-chloro-3-[(3S)-3-(methylsulfamoyl)pyrrolidin-1-yl]pyridazine-4-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 for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "ethyl 6-chloro-3-[(3S)-3-(methylsulfamoyl)pyrrolidin-1-yl]pyridazine-4-carboxylate",
"role": "assistant"
}
] |
297,650 | {
"selfies": "[C][C][N][N][=C][C][Branch2][Ring1][Ring1][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][N][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CCn1ncc(-c2nc(Cc3ccccc3)no2)c1-c1ccccc1"
} | 3-benzyl-5-(1-ethyl-5-phenylpyrazol-4-yl)-1,2,4-oxadiazole | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "3-benzyl-5-(1-ethyl-5-phenylpyrazol-4-yl)-1,2,4-oxadiazole",
"role": "assistant"
}
] |
297,651 | {
"selfies": "[C][C][=C][C][=C][Branch2][Ring1][N][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][C][C][=C][S][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][Branch2][O][Ring2][Ring1][=Branch1]",
"smiles": "Cc1ccc(-c2nn(C)cc2CNCc2csc(C(=O)O)c2)o1"
} | 4-[[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methylamino]methyl]thiophene-2-carboxylic 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": "4-[[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methylamino]methyl]thiophene-2-carboxylic acid",
"role": "assistant"
}
] |
297,652 | {
"selfies": "[C][N][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][=Ring1][O][C][=C][Ring2][Ring1][Ring2][C][Branch1][C][N][=O]",
"smiles": "Cn1cc(S(=O)(=O)Nc2ccn(C3CCCCC3)n2)cc1C(N)=O"
} | 4-[(1-cyclohexylpyrazol-3-yl)sulfamoyl]-1-methylpyrrole-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": "4-[(1-cyclohexylpyrazol-3-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide",
"role": "assistant"
}
] |
297,653 | {
"selfies": "[C][C][C][=C][Branch1][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][=C][Branch1][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][N][Ring1][Branch2][C][C][Ring1][=N][N][=N][Ring2][Ring1][Ring1][N][=Ring2][Ring1][=Branch2]",
"smiles": "Cc1cc(C)n(-c2ccc(N3CCc4c(c(C(=O)O)nn4C)C3)nn2)n1"
} | 5-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic 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": "5-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid",
"role": "assistant"
}
] |
297,654 | {
"selfies": "[N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch2][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F]",
"smiles": "Nc1ncc2c(n1)CC1CCC2N1C(=O)CCc1cc(F)ccc1F"
} | 1-(5-amino-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-(2,5-difluorophenyl)propan-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": "1-(5-amino-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-(2,5-difluorophenyl)propan-1-one",
"role": "assistant"
}
] |
297,655 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][N][N][=C][C][C][=Branch1][C][=O][N][Branch1][P][C][C][=N][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=N][C][=Ring1][P][Ring2][Ring1][Ring2]",
"smiles": "CC(C)(C)n1ncc2c(=O)n(Cc3nc4c(o3)CCCC4)cnc21"
} | 1-tert-butyl-5-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "1-tert-butyl-5-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one",
"role": "assistant"
}
] |
Subsets and Splits