6-methyl-5-[(4-methylphenyl)methyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-[(4-methylphenyl)methyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-methyl-5-(p-tolylmethyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[(4-methylphenyl)methyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-methyl-5-(4-methylbenzyl)-1H-pyrimidin-4-one Formula: C20H20N2OS MolecularWeight: 336.4506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

InChI

InChI=1S/C20H20N2OS/c1-14-8-10-16(11-9-14)12-18-15(2)21-20(22-19(18)23)24-13-17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,21,22,23)