3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-(4-methylphenyl)propanamide

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-(4-methylphenyl)propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(p-tolyl)propanamide CAS Name: 3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-N-(4-methylphenyl)propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(4-methylphenyl)propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(p-tolyl)propionamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O2S/c1-15-8-10-18(11-9-15)24-20(26)13-12-19-16(2)23-22(25-21(19)27)28-14-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,24,26)(H,23,25,27)