4-[2,3,6,7-Tetrahydro-3,7-Dimethyl-2,6-Dioxo-1-(2-Propen-1-Yl)-1H-Purin-8-Yl]-Benzenesulfonic Acid
[CAS 149981-25-9]

Identification

• Name: 4-[2,3,6,7-Tetrahydro-3,7-Dimethyl-2,6-Dioxo-1-(2-Propen-1-Yl)-1H-Purin-8-Yl]-Benzenesulfonic Acid
• Synonyms: 4-[2,3,6,7-Tetrahydro-3,7-Dimethyl-2,6-Dioxo-1-(2-Propenyl)-1H-Purin-8-Yl]Benzenesulfonic Acid; 1-ALLYL-3,7-DIMETHYL-8-P-SULFOPHENYLXANTHINE, SODIUM SALT; 1-Allyl-3,7-Dimethyl-8-Sulfophenylxanthine Sodium Salt
• Molecular Formula: C₁₆H₁₆N₄O₅S
• Molecular Weight: 376.39
• CAS Registry Number: 149981-25-9
• SMILES: C=CCn1c(=O)n(C)c2c(c1=O)n(C)c(n2)c1ccc(cc1)S(=O)(=O)O
• InChI: 1S/C16H16N4O5S/c1-4-9-20-15(21)12-14(19(3)16(20)22)17-13(18(12)2)10-5-7-11(8-6-10)26(23,24)25/h4-8H,1,9H2,2-3H3,(H,23,24,25)