(3,3-dimethyl-2-oxidanylidene-butyl) 1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1,6-diisopropylpyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1,6-di(propan-2-yl)-4-pyrazolo[3,4-b]pyridinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,6-diisopropylpyrazolo[3,4-b]pyridine-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC(C)C1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C19H27N3O3/c1-11(2)15-8-13(18(24)25-10-16(23)19(5,6)7)14-9-20-22(12(3)4)17(14)21-15/h8-9,11-12H,10H2,1-7H3