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

Systemtic Name: [2-methyl-4,6-bis(oxidanylidene)-1H-pyrazolo[3,4-d]pyrimidin-5-yl] benzenesulfonate Openeye Name: (2-methyl-4,6-dioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl) benzenesulfonate CAS Name: benzenesulfonic acid (2-methyl-4,6-dioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl) ester IUPAC Name: (2-methyl-4,6-dioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (4,6-diketo-2-methyl-1H-pyrazolo[3,4-d]pyrimidin-5-yl) ester Formula: C12H10N4O5S MolecularWeight: 322.2966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C(=NC(=O)N(C2=O)OS(=O)(=O)C3=CC=CC=C3)N1

Isomeric SMILES

CN1C=C2C(=NC(=O)N(C2=O)OS(=O)(=O)C3=CC=CC=C3)N1

InChI

InChI=1S/C12H10N4O5S/c1-15-7-9-10(14-15)13-12(18)16(11(9)17)21-22(19,20)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14,18)