N,N-dimethyl-2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: N,N-dimethyl-2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: N,N-dimethyl-2-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: N,N-dimethyl-2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: N,N-dimethyl-2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1-propyl-benzimidazole-5-sulfonamide Formula: C23H32N9O2S+ MolecularWeight: 498.62428

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCN(CC3)C4=NC=NC5=C4C=NN5C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCN(CC3)C4=NC=NC5=C4C=NN5C

InChI

InChI=1S/C23H31N9O2S/c1-5-8-32-20-7-6-17(35(33,34)28(2)3)13-19(20)27-21(32)15-30-9-11-31(12-10-30)23-18-14-26-29(4)22(18)24-16-25-23/h6-7,13-14,16H,5,8-12,15H2,1-4H3/p+1