1-butyl-2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]benzimidazole-5-sulfonamide Formula: C22H29N9O2S MolecularWeight: 483.58976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCN(CC3)C4=NC=NC5=C4C=NN5C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCN(CC3)C4=NC=NC5=C4C=NN5C

InChI

InChI=1S/C22H29N9O2S/c1-3-4-7-31-19-6-5-16(34(23,32)33)12-18(19)27-20(31)14-29-8-10-30(11-9-29)22-17-13-26-28(2)21(17)24-15-25-22/h5-6,12-13,15H,3-4,7-11,14H2,1-2H3,(H2,23,32,33)