1-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 1-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]isatin Formula: C19H20N7O2+ MolecularWeight: 378.4078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CN4C5=CC=CC=C5C(=O)C4=O

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CN4C5=CC=CC=C5C(=O)C4=O

InChI

InChI=1S/C19H19N7O2/c1-23-17-14(10-22-23)18(21-11-20-17)25-8-6-24(7-9-25)12-26-15-5-3-2-4-13(15)16(27)19(26)28/h2-5,10-11H,6-9,12H2,1H3/p+1