2-[[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[[1-butyl-5-(trifluoromethyl)-2-benzimidazolyl]thio]methyl]-9-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C22H21F3N4OS MolecularWeight: 446.48855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1SCC3=CC(=O)N4C=CC=C(C4=N3)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1SCC3=CC(=O)N4C=CC=C(C4=N3)C

InChI

InChI=1S/C22H21F3N4OS/c1-3-4-9-28-18-8-7-15(22(23,24)25)11-17(18)27-21(28)31-13-16-12-19(30)29-10-5-6-14(2)20(29)26-16/h5-8,10-12H,3-4,9,13H2,1-2H3