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

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 1,3-dimethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 1,3-dimethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1,3-dimethyl-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] 1,3-dimethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,3-dimethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC(=NC3=C2C(=NN3C)C)C4=CC=CS4

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=CC(=NC3=C2C(=NN3C)C)C4=CC=CS4

InChI

InChI=1S/C22H26N4O3S/c1-13-7-4-5-8-16(13)23-19(27)12-29-22(28)15-11-17(18-9-6-10-30-18)24-21-20(15)14(2)25-26(21)3/h6,9-11,13,16H,4-5,7-8,12H2,1-3H3,(H,23,27)