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

Systemtic Name: tert-butyl 3-[6-[(2-ethoxyphenyl)methyl]-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[6-[(2-ethoxyphenyl)methyl]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate CAS Name: 3-[6-[(2-ethoxyphenyl)methyl]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[6-[(2-ethoxyphenyl)methyl]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Traditional Name: 3-[6-(2-ethoxybenzyl)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CC2=NC(=O)C3=CNN(C3=N2)C4CCCN(C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1CC2=NC(=O)C3=CNN(C3=N2)C4CCCN(C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H31N5O4/c1-5-32-19-11-7-6-9-16(19)13-20-26-21-18(22(30)27-20)14-25-29(21)17-10-8-12-28(15-17)23(31)33-24(2,3)4/h6-7,9,11,14,17,25H,5,8,10,12-13,15H2,1-4H3