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

Systemtic Name: propan-2-yl 1-(2-chloranyl-2-phenyl-ethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: isopropyl 1-(2-chloro-2-phenyl-ethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-4-(propylamino)-5-pyrazolo[3,4-b]pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-(2-chloro-2-phenylethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid isopropyl ester Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C2C=NN(C2=NC=C1C(=O)OC(C)C)CC(C3=CC=CC=C3)Cl

Isomeric SMILES

CCCNC1=C2C=NN(C2=NC=C1C(=O)OC(C)C)CC(C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H25ClN4O2/c1-4-10-23-19-16-12-25-26(13-18(22)15-8-6-5-7-9-15)20(16)24-11-17(19)21(27)28-14(2)3/h5-9,11-12,14,18H,4,10,13H2,1-3H3,(H,23,24)