N-[4-(4-azanyl-1-piperidin-1-ium-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-5-methoxy-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]-5-methoxy-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]-5-methoxy-1H-indole-2-carboxamide CAS Name: N-[4-[4-amino-1-(4-piperidin-1-iumyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-5-methoxy-1H-indole-2-carboxamide IUPAC Name: N-[4-(4-amino-1-piperidin-1-ium-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-5-methoxy-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]-5-methoxy-1H-indole-2-carboxamide Formula: C27H29N8O3+ MolecularWeight: 513.57096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=C(C=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)C6CC[NH2+]CC6)OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=C(C=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)C6CC[NH2+]CC6)OC

InChI

InChI=1S/C27H28N8O3/c1-37-18-4-6-19-16(11-18)12-21(32-19)27(36)33-20-5-3-15(13-22(20)38-2)24-23-25(28)30-14-31-26(23)35(34-24)17-7-9-29-10-8-17/h3-6,11-14,17,29,32H,7-10H2,1-2H3,(H,33,36)(H2,28,30,31)/p+1