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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 6-(furan-2-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 6-(2-furyl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(2-furanyl)-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(2-furyl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC(=NC2=C1C=NN2C(C)C)C3=CC=CO3

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC(=NC2=C1C=NN2C(C)C)C3=CC=CO3

InChI

InChI=1S/C21H26N4O4/c1-13(2)7-8-22-19(26)12-29-21(27)15-10-17(18-6-5-9-28-18)24-20-16(15)11-23-25(20)14(3)4/h5-6,9-11,13-14H,7-8,12H2,1-4H3,(H,22,26)