ethyl 4-methyl-2-oxidanylidene-6-[(phenylmethylsulfanyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-oxidanylidene-6-[(phenylmethylsulfanyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(benzylsulfanylmethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-methyl-2-oxo-6-[(phenylmethylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(benzylsulfanylmethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(benzylthio)methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C)CSCC2=CC=CC=C2

InChI

InChI=1S/C16H20N2O3S/c1-3-21-15(19)14-11(2)17-16(20)18-13(14)10-22-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H2,17,18,20)