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

Systemtic Name: (4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 3-(imidazol-1-ylmethyl)benzoate Openeye Name: (4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 3-(imidazol-1-ylmethyl)benzoate CAS Name: 3-(1-imidazolylmethyl)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 3-(imidazol-1-ylmethyl)benzoate Traditional Name: 3-(imidazol-1-ylmethyl)benzoic acid (4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl ester Formula: C17H14N6O3 MolecularWeight: 350.33146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=CN=C2)C(=O)OCN3C4=NC=NC(=O)C4=CN3

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=CN=C2)C(=O)OCN3C4=NC=NC(=O)C4=CN3

InChI

InChI=1S/C17H14N6O3/c24-16-14-7-21-23(15(14)19-9-20-16)11-26-17(25)13-3-1-2-12(6-13)8-22-5-4-18-10-22/h1-7,9-10,21H,8,11H2