[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinecarboxylic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CN=C3C(=C2)C=NN3CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CN=C3C(=C2)C=NN3CC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O3/c1-13(19(25)23-17-7-8-17)27-20(26)16-9-15-11-22-24(18(15)21-10-16)12-14-5-3-2-4-6-14/h2-6,9-11,13,17H,7-8,12H2,1H3,(H,23,25)