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

Systemtic Name: ethyl 1-(2-chloranyl-3-phenoxy-propyl)-4-(cyclopropylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(2-chloro-3-phenoxy-propyl)-4-(cyclopropylamino)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-3-phenoxypropyl)-4-(cyclopropylamino)-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloro-3-phenoxypropyl)-4-(cyclopropylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-3-phenoxy-propyl)-4-(cyclopropylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NC3CC3)C=NN2CC(COC4=CC=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NC3CC3)C=NN2CC(COC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H23ClN4O3/c1-2-28-21(27)18-10-23-20-17(19(18)25-15-8-9-15)11-24-26(20)12-14(22)13-29-16-6-4-3-5-7-16/h3-7,10-11,14-15H,2,8-9,12-13H2,1H3,(H,23,25)