2-methoxy-N-[[5-[(3E)-3-[5-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]methyl]ethanamine

Systemtic Name: 2-methoxy-N-[[5-[(3E)-3-[5-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]methyl]ethanamine Openeye Name: 2-methoxy-N-[[5-[(3E)-3-[5-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]-3-pyridyl]methyl]ethanamine CAS Name: 2-methoxy-N-[[5-[(3E)-3-[5-(4-methyl-1-piperazinyl)-2-benzimidazolylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine IUPAC Name: 2-methoxy-N-[[5-[(3E)-3-[5-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]methyl]ethanamine Traditional Name: 2-methoxyethyl-[[5-[(3E)-3-[5-(4-methylpiperazino)benzimidazol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]-3-pyridyl]methyl]amine Formula: C27H31N9O MolecularWeight: 497.59474

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=NC(=C4C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)CNCCOC)N=C3C=C2

Isomeric SMILES

CN1CCN(CC1)C2=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)CNCCOC)/N=C3C=C2

InChI

InChI=1S/C27H31N9O/c1-35-6-8-36(9-7-35)21-3-4-23-24(13-21)32-27(31-23)25-22-12-20(17-30-26(22)34-33-25)19-11-18(15-29-16-19)14-28-5-10-37-2/h3-4,11-13,15-17,28,33H,5-10,14H2,1-2H3,(H,30,34)/b27-25+