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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)N(C(=N1)SC)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=O)N(C(=N1)SC)C2=CC=CC=C2

InChI

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