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

Systemtic Name: butan-2-yl 1-(2-chloranyl-2-phenyl-ethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: sec-butyl 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 butan-2-yl ester IUPAC Name: butan-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 sec-butyl ester Formula: C22H27ClN4O2 MolecularWeight: 414.92838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O2/c1-4-11-24-20-17-13-26-27(14-19(23)16-9-7-6-8-10-16)21(17)25-12-18(20)22(28)29-15(3)5-2/h6-10,12-13,15,19H,4-5,11,14H2,1-3H3,(H,24,25)