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

Systemtic Name: ethyl 1-[(4-methylphenyl)methyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-6-oxo-1-(p-tolylmethyl)pyrimidine-5-carboxylate CAS Name: 1-[(4-methylphenyl)methyl]-2-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methylphenyl)methyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 6-keto-1-(4-methylbenzyl)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-4-21-15(20)13-9-17-16(22-3)18(14(13)19)10-12-7-5-11(2)6-8-12/h5-9H,4,10H2,1-3H3