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

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 6-cyclopropyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(2-bromoanilino)-2-oxo-ethyl] 6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-cyclopropyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(2-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromoanilino)-2-oxoethyl] 6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-(2-bromoanilino)-2-keto-ethyl] ester Formula: C21H21BrN4O3 MolecularWeight: 457.32044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)OCC(=O)NC4=CC=CC=C4Br

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)OCC(=O)NC4=CC=CC=C4Br

InChI

InChI=1S/C21H21BrN4O3/c1-12(2)26-20-15(10-23-26)14(9-18(25-20)13-7-8-13)21(28)29-11-19(27)24-17-6-4-3-5-16(17)22/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,24,27)