3-[(4-methylphenyl)methyl]-6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 3-[(4-methylphenyl)methyl]-6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-phenyl-3-(p-tolylmethyl)pyrimidin-4-one CAS Name: 3-[(4-methylphenyl)methyl]-6-phenyl-2-(phenylmethylthio)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-3-[(4-methylphenyl)methyl]-6-phenylpyrimidin-4-one Traditional Name: 2-(benzylthio)-3-(4-methylbenzyl)-6-phenyl-pyrimidin-4-one Formula: C25H22N2OS MolecularWeight: 398.51998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2OS/c1-19-12-14-20(15-13-19)17-27-24(28)16-23(22-10-6-3-7-11-22)26-25(27)29-18-21-8-4-2-5-9-21/h2-16H,17-18H2,1H3