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

Systemtic Name: 5-[(3-fluorophenyl)methyl]-3,6-dimethyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-one Openeye Name: 5-[(3-fluorophenyl)methyl]-3,6-dimethyl-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-pyrimidin-4-one CAS Name: 5-[(3-fluorophenyl)methyl]-3,6-dimethyl-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-pyrimidinone IUPAC Name: 5-[(3-fluorophenyl)methyl]-3,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrimidin-4-one Traditional Name: 5-(3-fluorobenzyl)-2-[[2-keto-2-(p-tolyl)ethyl]thio]-3,6-dimethyl-pyrimidin-4-one Formula: C22H21FN2O2S MolecularWeight: 396.477743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O2S/c1-14-7-9-17(10-8-14)20(26)13-28-22-24-15(2)19(21(27)25(22)3)12-16-5-4-6-18(23)11-16/h4-11H,12-13H2,1-3H3