[4,6-bis(oxidanylidene)-2-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5-yl] benzenesulfonate

Systemtic Name: [4,6-bis(oxidanylidene)-2-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5-yl] benzenesulfonate Openeye Name: (4,6-dioxo-2-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5-yl) benzenesulfonate CAS Name: benzenesulfonic acid (4,6-dioxo-2-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5-yl) ester IUPAC Name: (4,6-dioxo-2-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (4,6-diketo-2-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5-yl) ester Formula: C17H12N4O5S MolecularWeight: 384.36598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C3C(=NC(=O)N(C3=O)OS(=O)(=O)C4=CC=CC=C4)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C=C3C(=NC(=O)N(C3=O)OS(=O)(=O)C4=CC=CC=C4)N2

InChI

InChI=1S/C17H12N4O5S/c22-16-14-11-20(12-7-3-1-4-8-12)19-15(14)18-17(23)21(16)26-27(24,25)13-9-5-2-6-10-13/h1-11H,(H,18,19,23)