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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 6-(furan-2-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(1-adamantylamino)-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-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-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-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CO3)C(=O)OCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CO3)C(=O)OCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H30N4O4/c1-15(2)30-24-20(13-27-30)19(9-21(28-24)22-4-3-5-33-22)25(32)34-14-23(31)29-26-10-16-6-17(11-26)8-18(7-16)12-26/h3-5,9,13,15-18H,6-8,10-12,14H2,1-2H3,(H,29,31)