3,6-dimethyl-5-[(2-methylphenyl)methyl]-2-phenacylsulfanyl-pyrimidin-4-one

Systemtic Name: 3,6-dimethyl-5-[(2-methylphenyl)methyl]-2-phenacylsulfanyl-pyrimidin-4-one Openeye Name: 3,6-dimethyl-5-(o-tolylmethyl)-2-phenacylsulfanyl-pyrimidin-4-one CAS Name: 3,6-dimethyl-5-[(2-methylphenyl)methyl]-2-(phenacylthio)-4-pyrimidinone IUPAC Name: 3,6-dimethyl-5-[(2-methylphenyl)methyl]-2-phenacylsulfanylpyrimidin-4-one Traditional Name: 3,6-dimethyl-5-(2-methylbenzyl)-2-(phenacylthio)pyrimidin-4-one Formula: C22H22N2O2S MolecularWeight: 378.48728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=C(N=C(N(C2=O)C)SCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=CC=C1CC2=C(N=C(N(C2=O)C)SCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H22N2O2S/c1-15-9-7-8-12-18(15)13-19-16(2)23-22(24(3)21(19)26)27-14-20(25)17-10-5-4-6-11-17/h4-12H,13-14H2,1-3H3