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

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(1-methylbutylamino)-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-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 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-(1-methylbutylamino)ethyl] ester Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC(=NC2=C1C(=NN2C3=CC=CC=C3)C)C4=CC=CS4

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=CC(=NC2=C1C(=NN2C3=CC=CC=C3)C)C4=CC=CS4

InChI

InChI=1S/C25H26N4O3S/c1-4-9-16(2)26-22(30)15-32-25(31)19-14-20(21-12-8-13-33-21)27-24-23(19)17(3)28-29(24)18-10-6-5-7-11-18/h5-8,10-14,16H,4,9,15H2,1-3H3,(H,26,30)