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

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-1-phenyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC(=NC3=C2C(=NN3C4=CC=CC=C4)C)C5=CC=CS5

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=CC(=NC3=C2C(=NN3C4=CC=CC=C4)C)C5=CC=CS5

InChI

InChI=1S/C27H28N4O3S/c1-17-9-6-7-12-21(17)28-24(32)16-34-27(33)20-15-22(23-13-8-14-35-23)29-26-25(20)18(2)30-31(26)19-10-4-3-5-11-19/h3-5,8,10-11,13-15,17,21H,6-7,9,12,16H2,1-2H3,(H,28,32)