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

Systemtic Name: 2-[3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propylthio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propylsulfanyl]-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propylthio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C19H23N7O4S2 MolecularWeight: 477.56042

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C19H23N7O4S2/c1-4-25-14-7-6-12(32(20,29)30)10-13(14)22-18(25)31-9-5-8-26-17(27)15-16(21-11-23(15)2)24(3)19(26)28/h6-7,10-11H,4-5,8-9H2,1-3H3,(H2,20,29,30)