2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(1-hexyl-2-benzimidazolyl)thio]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(1-hexylbenzimidazol-2-yl)thio]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC3=CC(=O)N4C=C(C=CC4=N3)C

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC3=CC(=O)N4C=C(C=CC4=N3)C

InChI

InChI=1S/C23H26N4OS/c1-3-4-5-8-13-26-20-10-7-6-9-19(20)25-23(26)29-16-18-14-22(28)27-15-17(2)11-12-21(27)24-18/h6-7,9-12,14-15H,3-5,8,13,16H2,1-2H3