[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 6-cyclopropyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 6-cyclopropyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-cyclopropyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)OCC(=O)NC4CCCCC4

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)OCC(=O)NC4CCCCC4

InChI

InChI=1S/C21H28N4O3/c1-13(2)25-20-17(11-22-25)16(10-18(24-20)14-8-9-14)21(27)28-12-19(26)23-15-6-4-3-5-7-15/h10-11,13-15H,3-9,12H2,1-2H3,(H,23,26)