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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

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