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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-propan-2-yl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC(=NC2=C1C=NN2C(C)C)C3=CC=CS3

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=CC(=NC2=C1C=NN2C(C)C)C3=CC=CS3

InChI

InChI=1S/C20H24N4O3S/c1-5-13(4)22-18(25)11-27-20(26)14-9-16(17-7-6-8-28-17)23-19-15(14)10-21-24(19)12(2)3/h6-10,12-13H,5,11H2,1-4H3,(H,22,25)