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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C14H14N4O5S/c1-17-12-11(13(19)18(2)14(17)20)15-10(16-12)7-8-3-5-9(6-4-8)24(21,22)23/h3-6H,7H2,1-2H3,(H,15,16)(H,21,22,23)