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

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-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-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-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-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NCCC4=CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NCCC4=CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3S/c1-19-26-22(28(34)35-18-25(33)29-15-14-20-9-4-2-5-10-20)17-23(24-13-8-16-36-24)30-27(26)32(31-19)21-11-6-3-7-12-21/h3,6-9,11-13,16-17H,2,4-5,10,14-15,18H2,1H3,(H,29,33)