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

Systemtic Name: methyl 1-[2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c1-29-20(28)14-7-9-23(10-8-14)17(26)12-24-13-21-18-16(19(24)27)11-22-25(18)15-5-3-2-4-6-15/h2-6,11,13-14H,7-10,12H2,1H3