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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)NC2=CC=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)NC2=CC=CC(=C2)C)C

InChI

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