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

Systemtic Name: propyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(cyclopropylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: propyl 1-(2-chloro-2-phenyl-ethyl)-4-(cyclopropylamino)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-4-(cyclopropylamino)-5-pyrazolo[3,4-b]pyridinecarboxylic acid propyl ester IUPAC Name: propyl 1-(2-chloro-2-phenylethyl)-4-(cyclopropylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-4-(cyclopropylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid propyl ester Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CN=C2C(=C1NC3CC3)C=NN2CC(C4=CC=CC=C4)Cl

Isomeric SMILES

CCCOC(=O)C1=CN=C2C(=C1NC3CC3)C=NN2CC(C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H23ClN4O2/c1-2-10-28-21(27)17-11-23-20-16(19(17)25-15-8-9-15)12-24-26(20)13-18(22)14-6-4-3-5-7-14/h3-7,11-12,15,18H,2,8-10,13H2,1H3,(H,23,25)