4-[1-methyl-2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]benzenesulfonic acid

Systemtic Name: 4-[1-methyl-2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]benzenesulfonic acid Openeye Name: 4-(1-methyl-2,6-dioxo-3,7-dihydropurin-8-yl)benzenesulfonic acid CAS Name: 4-(1-methyl-2,6-dioxo-3,7-dihydropurin-8-yl)benzenesulfonic acid IUPAC Name: 4-(1-methyl-2,6-dioxo-3,7-dihydropurin-8-yl)benzenesulfonic acid Traditional Name: 4-(2,6-diketo-1-methyl-3,7-dihydropurin-8-yl)besylic acid Formula: C12H10N4O5S MolecularWeight: 322.2966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

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