ethyl 1-[(4-cyanophenyl)methyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[(4-cyanophenyl)methyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[(4-cyanophenyl)methyl]-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[(4-cyanophenyl)methyl]-2-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-cyanophenyl)methyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-(4-cyanobenzyl)-6-keto-2-(methylthio)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)CC2=CC=C(C=C2)C#N)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)C#N)SC

InChI

InChI=1S/C16H15N3O3S/c1-3-22-15(21)13-9-18-16(23-2)19(14(13)20)10-12-6-4-11(8-17)5-7-12/h4-7,9H,3,10H2,1-2H3