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

Systemtic Name: butan-2-yl 1-(2-chloranyl-2-phenyl-ethyl)-4-(phenethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: sec-butyl 1-(2-chloro-2-phenyl-ethyl)-4-(phenethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-4-(phenethylamino)-5-pyrazolo[3,4-b]pyridinecarboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 1-(2-chloro-2-phenylethyl)-4-(phenethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-4-(phenethylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid sec-butyl ester Formula: C27H29ClN4O2 MolecularWeight: 476.99776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=CN=C2C(=C1NCCC3=CC=CC=C3)C=NN2CC(C4=CC=CC=C4)Cl

Isomeric SMILES

CCC(C)OC(=O)C1=CN=C2C(=C1NCCC3=CC=CC=C3)C=NN2CC(C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H29ClN4O2/c1-3-19(2)34-27(33)23-16-30-26-22(25(23)29-15-14-20-10-6-4-7-11-20)17-31-32(26)18-24(28)21-12-8-5-9-13-21/h4-13,16-17,19,24H,3,14-15,18H2,1-2H3,(H,29,30)