4-[3-(dimethylazaniumyl)propylamino]-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: 4-[3-(dimethylazaniumyl)propylamino]-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: 4-[3-(dimethylammonio)propylamino]-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-[3-(dimethylammonio)propylamino]-1-methyl-5-pyrazolo[3,4-b]pyridinecarboxylate IUPAC Name: 4-[3-(dimethylazaniumyl)propylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-[3-(dimethylammonio)propylamino]-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate Formula: C13H19N5O2 MolecularWeight: 277.32226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5O2/c1-17(2)6-4-5-14-11-9-8-16-18(3)12(9)15-7-10(11)13(19)20/h7-8H,4-6H2,1-3H3,(H,14,15)(H,19,20)