[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 6-methyl-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=C(N=C3C(=C2)C=NN3C(C)C)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=C(N=C3C(=C2)C=NN3C(C)C)C

InChI

InChI=1S/C20H28N4O3/c1-12(2)24-19-15(10-21-24)9-17(14(4)22-19)20(26)27-11-18(25)23-16-7-5-13(3)6-8-16/h9-10,12-13,16H,5-8,11H2,1-4H3,(H,23,25)