[5,7-bis(oxidanylidene)-1-phenyl-4H-pyrazolo[4,3-d]pyrimidin-6-yl] benzenesulfonate

Systemtic Name: [5,7-bis(oxidanylidene)-1-phenyl-4H-pyrazolo[4,3-d]pyrimidin-6-yl] benzenesulfonate Openeye Name: (5,7-dioxo-1-phenyl-4H-pyrazolo[4,3-d]pyrimidin-6-yl) benzenesulfonate CAS Name: benzenesulfonic acid (5,7-dioxo-1-phenyl-4H-pyrazolo[4,3-d]pyrimidin-6-yl) ester IUPAC Name: (5,7-dioxo-1-phenyl-4H-pyrazolo[4,3-d]pyrimidin-6-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (5,7-diketo-1-phenyl-4H-pyrazolo[4,3-d]pyrimidin-6-yl) ester Formula: C17H12N4O5S MolecularWeight: 384.36598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)NC(=O)N(C3=O)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)NC(=O)N(C3=O)OS(=O)(=O)C4=CC=CC=C4

InChI

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