2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)ethanamide

Systemtic Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)ethanamide Openeye Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)acetamide CAS Name: 2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]-N-(4-sulfamoylphenyl)acetamide IUPAC Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)acetamide Traditional Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)acetamide Formula: C18H23N8O3S+ MolecularWeight: 431.49202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C18H22N8O3S/c1-24-17-15(10-22-24)18(21-12-20-17)26-8-6-25(7-9-26)11-16(27)23-13-2-4-14(5-3-13)30(19,28)29/h2-5,10,12H,6-9,11H2,1H3,(H,23,27)(H2,19,28,29)/p+1