2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-1-butyl-benzimidazole-5-sulfonamide Formula: C20H20BrN5O3S2 MolecularWeight: 522.4385

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=O)N4C=C(C=CC4=N3)Br

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=O)N4C=C(C=CC4=N3)Br

InChI

InChI=1S/C20H20BrN5O3S2/c1-2-3-8-25-17-6-5-15(31(22,28)29)10-16(17)24-20(25)30-12-14-9-19(27)26-11-13(21)4-7-18(26)23-14/h4-7,9-11H,2-3,8,12H2,1H3,(H2,22,28,29)