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

Systemtic Name: 4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]benzenesulfonic acid Openeye Name: 4-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)benzenesulfonic acid CAS Name: 4-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)benzenesulfonic acid IUPAC Name: 4-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)benzenesulfonic acid Traditional Name: 4-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)besylic acid Formula: C14H14N4O5S MolecularWeight: 350.34976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(C=C3)S(=O)(=O)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)S(=O)(=O)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H14N4O5S/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)8-4-6-9(7-5-8)24(21,22)23/h4-7H,1-3H3,(H,21,22,23)