3-(4-fluorophenyl)-5,7-dimethyl-2-(phenylmethylsulfanyl)pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(4-fluorophenyl)-5,7-dimethyl-2-(phenylmethylsulfanyl)pyrido[2,3-d]pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-3-(4-fluorophenyl)-5,7-dimethyl-pyrido[2,3-d]pyrimidin-4-one CAS Name: 3-(4-fluorophenyl)-5,7-dimethyl-2-(phenylmethylthio)-4-pyrido[2,3-d]pyrimidinone IUPAC Name: 2-benzylsulfanyl-3-(4-fluorophenyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-one Traditional Name: 2-(benzylthio)-3-(4-fluorophenyl)-5,7-dimethyl-pyrido[2,3-d]pyrimidin-4-one Formula: C22H18FN3OS MolecularWeight: 391.461223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C22H18FN3OS/c1-14-12-15(2)24-20-19(14)21(27)26(18-10-8-17(23)9-11-18)22(25-20)28-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3