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

Systemtic Name: ethyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(cyclopropylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O2/c1-2-27-20(26)16-10-22-19-15(18(16)24-14-8-9-14)11-23-25(19)12-17(21)13-6-4-3-5-7-13/h3-7,10-11,14,17H,2,8-9,12H2,1H3,(H,22,24)