tert-butyl 3-[4-oxidanylidene-6-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-oxidanylidene-6-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[4-oxo-6-(2-pyridylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate CAS Name: 3-[4-oxo-6-(2-pyridinylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-oxo-6-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Traditional Name: 3-[4-keto-6-(2-pyridylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)N2C3=NC(=NC(=O)C3=CN2)CC4=CC=CC=N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)N2C3=NC(=NC(=O)C3=CN2)CC4=CC=CC=N4

InChI

InChI=1S/C21H26N6O3/c1-21(2,3)30-20(29)26-10-6-8-15(13-26)27-18-16(12-23-27)19(28)25-17(24-18)11-14-7-4-5-9-22-14/h4-5,7,9,12,15,23H,6,8,10-11,13H2,1-3H3