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

Systemtic Name: ethyl 1-(cyanomethyl)-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-(cyanomethyl)-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-(cyanomethyl)-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-(cyanomethyl)-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-(cyanomethyl)-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-2-22-15(21)13-10-18-16(19(9-8-17)14(13)20)23-11-12-6-4-3-5-7-12/h3-7,10H,2,9,11H2,1H3