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

Systemtic Name: [2,6-bis(oxidanylidene)-7-(phenylsulfonyl)-3H-purin-1-yl] benzenesulfonate Openeye Name: [7-(benzenesulfonyl)-2,6-dioxo-3H-purin-1-yl] benzenesulfonate CAS Name: benzenesulfonic acid [7-(benzenesulfonyl)-2,6-dioxo-3H-purin-1-yl] ester IUPAC Name: [7-(benzenesulfonyl)-2,6-dioxo-3H-purin-1-yl] benzenesulfonate Traditional Name: benzenesulfonic acid (7-besyl-2,6-diketo-3H-purin-1-yl) ester Formula: C17H12N4O7S2 MolecularWeight: 448.42978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C=NC3=C2C(=O)N(C(=O)N3)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=NC3=C2C(=O)N(C(=O)N3)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C17H12N4O7S2/c22-16-14-15(18-11-20(14)29(24,25)12-7-3-1-4-8-12)19-17(23)21(16)28-30(26,27)13-9-5-2-6-10-13/h1-11H,(H,19,23)