1-butyl-2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethylthio]benzimidazole-5-sulfonamide Formula: C20H25N7O4S2 MolecularWeight: 491.587

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C20H25N7O4S2/c1-4-5-8-27-15-7-6-13(33(21,30)31)11-14(15)23-19(27)32-10-9-26-12-22-17-16(26)18(28)25(3)20(29)24(17)2/h6-7,11-12H,4-5,8-10H2,1-3H3,(H2,21,30,31)