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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=C(C(=O)N2C)CC3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=C(C(=O)N2C)CC3=CC(=CC=C3)F)C

InChI

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