3,6-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-5-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 3,6-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-3,6-dimethyl-2-(o-tolylmethylsulfanyl)pyrimidin-4-one CAS Name: 3,6-dimethyl-2-[(2-methylphenyl)methylthio]-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-3,6-dimethyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-one Traditional Name: 5-benzyl-3,6-dimethyl-2-[(2-methylbenzyl)thio]pyrimidin-4-one Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2OS/c1-15-9-7-8-12-18(15)14-25-21-22-16(2)19(20(24)23(21)3)13-17-10-5-4-6-11-17/h4-12H,13-14H2,1-3H3