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

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-ethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)OC(C)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)OC(C)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O3S/c1-3-27-21-18(14-25-27)17(12-19(26-21)20-10-7-11-31-20)23(29)30-15(2)22(28)24-13-16-8-5-4-6-9-16/h4-12,14-15H,3,13H2,1-2H3,(H,24,28)