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

Systemtic Name: tert-butyl 3-[4-oxidanylidene-6-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-(6-benzyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate CAS Name: 3-[4-oxo-6-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(6-benzyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate Traditional Name: 3-(6-benzyl-4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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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=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)N2C3=NC(=NC(=O)C3=CN2)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O3/c1-22(2,3)30-21(29)26-11-7-10-16(14-26)27-19-17(13-23-27)20(28)25-18(24-19)12-15-8-5-4-6-9-15/h4-6,8-9,13,16,23H,7,10-12,14H2,1-3H3