N-[4-(4-azanyl-1-piperidin-1-ium-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-7-nitro-1H-indole-2-carboxamide

Systemtic Name: N-[4-(4-azanyl-1-piperidin-1-ium-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-7-nitro-1H-indole-2-carboxamide Openeye Name: N-[4-(4-amino-1-piperidin-1-ium-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-7-nitro-1H-indole-2-carboxamide CAS Name: N-[4-[4-amino-1-(4-piperidin-1-iumyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-7-nitro-1H-indole-2-carboxamide IUPAC Name: N-[4-(4-amino-1-piperidin-1-ium-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-7-nitro-1H-indole-2-carboxamide Traditional Name: N-[4-(4-amino-1-piperidin-1-ium-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-7-nitro-1H-indole-2-carboxamide Formula: C26H26N9O4+ MolecularWeight: 528.54254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CC[NH2+]CC4)NC(=O)C5=CC6=C(N5)C(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CC[NH2+]CC4)NC(=O)C5=CC6=C(N5)C(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H25N9O4/c1-39-20-12-15(23-21-24(27)29-13-30-25(21)34(33-23)16-7-9-28-10-8-16)5-6-17(20)32-26(36)18-11-14-3-2-4-19(35(37)38)22(14)31-18/h2-6,11-13,16,28,31H,7-10H2,1H3,(H,32,36)(H2,27,29,30)/p+1