2-[(8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(8-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(4-keto-8-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=O)N4C=CC(=CC4=N3)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=O)N4C=CC(=CC4=N3)C

InChI

InChI=1S/C20H21N5O3S2/c1-3-7-24-17-5-4-15(30(21,27)28)11-16(17)23-20(24)29-12-14-10-19(26)25-8-6-13(2)9-18(25)22-14/h4-6,8-11H,3,7,12H2,1-2H3,(H2,21,27,28)