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

Systemtic Name: ethyl 6-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate CAS Name: 6-oxo-2-(phenylmethylthio)-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-6-keto-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(NC1=O)SCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(NC1=O)SCC2=CC=CC=C2

InChI

InChI=1S/C14H14N2O3S/c1-2-19-13(18)11-8-15-14(16-12(11)17)20-9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,15,16,17)