(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl benzoate

Systemtic Name: (4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl benzoate Openeye Name: (4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl benzoate CAS Name: benzoic acid (4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl ester IUPAC Name: (4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl benzoate Traditional Name: benzoic acid (4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl ester Formula: C13H10N4O3 MolecularWeight: 270.2435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCN2C3=NC=NC(=O)C3=CN2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCN2C3=NC=NC(=O)C3=CN2

InChI

InChI=1S/C13H10N4O3/c18-12-10-6-16-17(11(10)14-7-15-12)8-20-13(19)9-4-2-1-3-5-9/h1-7,16H,8H2