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

Systemtic Name: ethyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(cyclopropylamino)-6-oxidanylidene-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(2-chloro-2-phenyl-ethyl)-4-(cyclopropylamino)-6-oxo-2H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-4-(cyclopropylamino)-6-oxo-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloro-2-phenylethyl)-4-(cyclopropylamino)-6-oxo-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-4-(cyclopropylamino)-6-keto-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C20H21ClN4O3 MolecularWeight: 400.85874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CNN(C2=NC1=O)CC(C3=CC=CC=C3)Cl)NC4CC4

Isomeric SMILES

CCOC(=O)C1=C(C2=CNN(C2=NC1=O)CC(C3=CC=CC=C3)Cl)NC4CC4

InChI

InChI=1S/C20H21ClN4O3/c1-2-28-20(27)16-17(23-13-8-9-13)14-10-22-25(18(14)24-19(16)26)11-15(21)12-6-4-3-5-7-12/h3-7,10,13,15,22-23H,2,8-9,11H2,1H3