4-[2-(1H-imidazol-3-ium-5-yl)ethylamino]-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: 4-[2-(1H-imidazol-3-ium-5-yl)ethylamino]-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: 4-[2-(1H-imidazol-3-ium-5-yl)ethylamino]-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-[2-(1H-imidazol-3-ium-5-yl)ethylamino]-1-methyl-5-pyrazolo[3,4-b]pyridinecarboxylate IUPAC Name: 4-[2-(1H-imidazol-3-ium-5-yl)ethylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-[2-(1H-imidazol-3-ium-5-yl)ethylamino]-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate Formula: C13H14N6O2 MolecularWeight: 286.28926

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC=C(C(=C2C=N1)NCCC3=C[NH+]=CN3)C(=O)[O-]

Isomeric SMILES

CN1C2=NC=C(C(=C2C=N1)NCCC3=C[NH+]=CN3)C(=O)[O-]

InChI

InChI=1S/C13H14N6O2/c1-19-12-9(6-18-19)11(10(5-16-12)13(20)21)15-3-2-8-4-14-7-17-8/h4-7H,2-3H2,1H3,(H,14,17)(H,15,16)(H,20,21)