ethyl 1-[2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]isonipecotic acid ethyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O4/c1-2-30-21(29)15-8-10-24(11-9-15)18(27)13-25-14-22-19-17(20(25)28)12-23-26(19)16-6-4-3-5-7-16/h3-7,12,14-15H,2,8-11,13H2,1H3