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

Systemtic Name: butyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(cyclopropylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C22H25ClN4O2 MolecularWeight: 412.9125

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O2/c1-2-3-11-29-22(28)18-12-24-21-17(20(18)26-16-9-10-16)13-25-27(21)14-19(23)15-7-5-4-6-8-15/h4-8,12-13,16,19H,2-3,9-11,14H2,1H3,(H,24,26)