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

Systemtic Name: 4-[1-ethenyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]benzenesulfonic acid Openeye Name: 4-(3,7-dimethyl-2,6-dioxo-1-vinyl-purin-8-yl)benzenesulfonic acid CAS Name: 4-(1-ethenyl-3,7-dimethyl-2,6-dioxo-8-purinyl)benzenesulfonic acid IUPAC Name: 4-(1-ethenyl-3,7-dimethyl-2,6-dioxopurin-8-yl)benzenesulfonic acid Traditional Name: 4-(2,6-diketo-3,7-dimethyl-1-vinyl-purin-8-yl)besylic acid Formula: C15H14N4O5S MolecularWeight: 362.36046

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O5S/c1-4-19-14(20)11-13(18(3)15(19)21)16-12(17(11)2)9-5-7-10(8-6-9)25(22,23)24/h4-8H,1H2,2-3H3,(H,22,23,24)