ethyl 1-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-methyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-methyl-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-methyl-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-6-keto-1-methyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)C)SCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)C)SCC2=CC=CC=C2

InChI

InChI=1S/C15H16N2O3S/c1-3-20-14(19)12-9-16-15(17(2)13(12)18)21-10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3