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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3,6-dimethyl-5-(m-tolylmethyl)pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-3,6-dimethyl-5-[(3-methylphenyl)methyl]-4-pyrimidinone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-3,6-dimethyl-5-(3-methylbenzyl)pyrimidin-4-one Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C(N=C(N(C2=O)C)SCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(N=C(N(C2=O)C)SCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H21ClN2OS/c1-14-5-4-6-17(11-14)12-19-15(2)23-21(24(3)20(19)25)26-13-16-7-9-18(22)10-8-16/h4-11H,12-13H2,1-3H3