methyl 4-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-(3,4-dimethylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-[[2-(3,4-dimethylanilino)-2-keto-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)NC(=C2C(=O)OC)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)NC(=C2C(=O)OC)C)C

InChI

InChI=1S/C17H19N3O4S/c1-9-5-6-12(7-10(9)2)19-13(21)8-25-15-14(16(22)24-4)11(3)18-17(23)20-15/h5-7H,8H2,1-4H3,(H,19,21)(H,18,20,23)