[7-methyl-2,6-bis(oxidanylidene)-3H-purin-1-yl] benzenesulfonate

Systemtic Name: [7-methyl-2,6-bis(oxidanylidene)-3H-purin-1-yl] benzenesulfonate Openeye Name: (7-methyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate CAS Name: benzenesulfonic acid (7-methyl-2,6-dioxo-3H-purin-1-yl) ester IUPAC Name: (7-methyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (2,6-diketo-7-methyl-3H-purin-1-yl) ester Formula: C12H10N4O5S MolecularWeight: 322.2966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2)OS(=O)(=O)C3=CC=CC=C3

InChI

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