methyl 1-[(1,3-dimethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[(1,3-dimethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1,3-dimethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[(1,3-dimethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1,3-dimethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NC4(CCCCC4)C(=O)OC)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NC4(CCCCC4)C(=O)OC)C

InChI

InChI=1S/C21H24N4O3S/c1-13-17-14(19(26)23-21(20(27)28-3)9-5-4-6-10-21)12-15(16-8-7-11-29-16)22-18(17)25(2)24-13/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,23,26)