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

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-3,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-one Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-3,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-one CAS Name: 2-[(3-fluorophenyl)methylthio]-3,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinone IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-3,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-one Traditional Name: 2-[(3-fluorobenzyl)thio]-3,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-one Formula: C21H21FN2OS MolecularWeight: 368.467643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2OS/c1-14-7-9-16(10-8-14)12-19-15(2)23-21(24(3)20(19)25)26-13-17-5-4-6-18(22)11-17/h4-11H,12-13H2,1-3H3