methyl 4-methylsulfanyl-6-oxidanylidene-2-phenyl-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-methylsulfanyl-6-oxidanylidene-2-phenyl-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-methylsulfanyl-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate CAS Name: 4-(methylthio)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate Traditional Name: 6-keto-4-(methylthio)-2-phenyl-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(NC1=O)C2=CC=CC=C2)SC

Isomeric SMILES

COC(=O)C1=C(N=C(NC1=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C13H12N2O3S/c1-18-13(17)9-11(16)14-10(15-12(9)19-2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15,16)