[7-methyl-8-methylsulfanyl-2,6-bis(oxidanylidene)-3H-purin-1-yl] benzenesulfonate

Systemtic Name: [7-methyl-8-methylsulfanyl-2,6-bis(oxidanylidene)-3H-purin-1-yl] benzenesulfonate Openeye Name: (7-methyl-8-methylsulfanyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate CAS Name: benzenesulfonic acid [7-methyl-8-(methylthio)-2,6-dioxo-3H-purin-1-yl] ester IUPAC Name: (7-methyl-8-methylsulfanyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate Traditional Name: benzenesulfonic acid [2,6-diketo-7-methyl-8-(methylthio)-3H-purin-1-yl] ester Formula: C13H12N4O5S2 MolecularWeight: 368.38818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC(=O)N(C2=O)OS(=O)(=O)C3=CC=CC=C3)N=C1SC

Isomeric SMILES

CN1C2=C(NC(=O)N(C2=O)OS(=O)(=O)C3=CC=CC=C3)N=C1SC

InChI

InChI=1S/C13H12N4O5S2/c1-16-9-10(15-13(16)23-2)14-12(19)17(11(9)18)22-24(20,21)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,19)