2-(1H-benzimidazol-2-ylsulfanylmethyl)-7-bromanyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-7-bromanyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-7-bromo-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-7-bromo-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-7-bromopyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-7-bromo-pyrido[1,2-a]pyrimidin-4-one Formula: C16H11BrN4OS MolecularWeight: 387.25374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=CC(=O)N4C=C(C=CC4=N3)Br

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=CC(=O)N4C=C(C=CC4=N3)Br

InChI

InChI=1S/C16H11BrN4OS/c17-10-5-6-14-18-11(7-15(22)21(14)8-10)9-23-16-19-12-3-1-2-4-13(12)20-16/h1-8H,9H2,(H,19,20)