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

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [1-methyl-2-[(2-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 [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 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-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=C(N=C3C(=C2)C=NN3C(C)C)C

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C2=C(N=C3C(=C2)C=NN3C(C)C)C

InChI

InChI=1S/C21H30N4O3/c1-12(2)25-19-16(11-22-25)10-17(14(4)23-19)21(27)28-15(5)20(26)24-18-9-7-6-8-13(18)3/h10-13,15,18H,6-9H2,1-5H3,(H,24,26)