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

Systemtic Name: methyl 2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)butanoate Openeye Name: methyl 2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)butanoate CAS Name: 2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)butanoic acid methyl ester IUPAC Name: methyl 2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)butanoate Traditional Name: 2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)butyric acid methyl ester Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)N1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)OC)N1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3

InChI

InChI=1S/C16H16N4O3/c1-3-13(16(22)23-2)19-10-17-14-12(15(19)21)9-18-20(14)11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3