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

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1,3-dimethyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=CC(=NC2=C1C(=NN2C)C)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=CC(=NC2=C1C(=NN2C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3/c1-6-22(3,4)24-18(27)13-29-21(28)16-12-17(15-10-8-7-9-11-15)23-20-19(16)14(2)25-26(20)5/h7-12H,6,13H2,1-5H3,(H,24,27)