ethyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(2-ethoxyethylamino)-6-oxidanylidene-2H-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(2-ethoxyethylamino)-6-oxidanylidene-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(2-chloro-2-phenyl-ethyl)-4-(2-ethoxyethylamino)-6-oxo-2H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-4-(2-ethoxyethylamino)-6-oxo-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloro-2-phenylethyl)-4-(2-ethoxyethylamino)-6-oxo-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-4-(2-ethoxyethylamino)-6-keto-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCNC1=C(C(=O)N=C2C1=CNN2CC(C3=CC=CC=C3)Cl)C(=O)OCC

Isomeric SMILES

CCOCCNC1=C(C(=O)N=C2C1=CNN2CC(C3=CC=CC=C3)Cl)C(=O)OCC

InChI

InChI=1S/C21H25ClN4O4/c1-3-29-11-10-23-18-15-12-24-26(13-16(22)14-8-6-5-7-9-14)19(15)25-20(27)17(18)21(28)30-4-2/h5-9,12,16,23-24H,3-4,10-11,13H2,1-2H3