3,6-dimethyl-1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 3,6-dimethyl-1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 1-[2-(isopropylamino)-2-oxo-ethyl]-3,6-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3,6-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4-pyrazolo[3,4-b]pyridinecarboxylate IUPAC Name: 3,6-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-[2-(isopropylamino)-2-keto-ethyl]-3,6-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylate Formula: C14H17N4O3- MolecularWeight: 289.30978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2CC(=O)NC(C)C)C)C(=C1)C(=O)[O-]

Isomeric SMILES

CC1=NC2=C(C(=NN2CC(=O)NC(C)C)C)C(=C1)C(=O)[O-]

InChI

InChI=1S/C14H18N4O3/c1-7(2)15-11(19)6-18-13-12(9(4)17-18)10(14(20)21)5-8(3)16-13/h5,7H,6H2,1-4H3,(H,15,19)(H,20,21)/p-1