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

Systemtic Name: tert-butyl 3-[6-(cyclobutylmethyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[6-(cyclobutylmethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate CAS Name: 3-[6-(cyclobutylmethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[6-(cyclobutylmethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Traditional Name: 3-[6-(cyclobutylmethyl)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)N2C3=NC(=NC(=O)C3=CN2)CC4CCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)N2C3=NC(=NC(=O)C3=CN2)CC4CCC4

InChI

InChI=1S/C20H29N5O3/c1-20(2,3)28-19(27)24-9-5-8-14(12-24)25-17-15(11-21-25)18(26)23-16(22-17)10-13-6-4-7-13/h11,13-14,21H,4-10,12H2,1-3H3