[2-(heptan-2-ylamino)-2-oxidanylidene-ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-(heptan-2-ylamino)-2-oxidanylidene-ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(1-methylhexylamino)-2-oxo-ethyl] 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(heptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(heptan-2-ylamino)-2-oxoethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-keto-2-(1-methylhexylamino)ethyl] ester Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)C1=CN=C2C(=C1)C=NN2C(C)C

Isomeric SMILES

CCCCCC(C)NC(=O)COC(=O)C1=CN=C2C(=C1)C=NN2C(C)C

InChI

InChI=1S/C19H28N4O3/c1-5-6-7-8-14(4)22-17(24)12-26-19(25)16-9-15-11-21-23(13(2)3)18(15)20-10-16/h9-11,13-14H,5-8,12H2,1-4H3,(H,22,24)