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

Systemtic Name: [1-methyl-5,7-bis(oxidanylidene)-4H-pyrazolo[4,3-d]pyrimidin-6-yl] benzenesulfonate Openeye Name: (1-methyl-5,7-dioxo-4H-pyrazolo[4,3-d]pyrimidin-6-yl) benzenesulfonate CAS Name: benzenesulfonic acid (1-methyl-5,7-dioxo-4H-pyrazolo[4,3-d]pyrimidin-6-yl) ester IUPAC Name: (1-methyl-5,7-dioxo-4H-pyrazolo[4,3-d]pyrimidin-6-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (5,7-diketo-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-6-yl) ester Formula: C12H10N4O5S MolecularWeight: 322.2966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)NC(=O)N(C2=O)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=N1)NC(=O)N(C2=O)OS(=O)(=O)C3=CC=CC=C3

InChI

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