8-Butylsulfanyl-3,7-Dimethylpurine-2,6-Dione
[CAS# 74039-56-8]

Identification

• Name: 8-Butylsulfanyl-3,7-Dimethylpurine-2,6-Dione
• Synonyms: 8-Butylsulfanyl-3,7-Dimethyl-Purine-2,6-Dione; 8-(Butylthio)-3,7-Dimethylpurine-2,6-Dione; 8-(Butylthio)-3,7-Dimethyl-Xanthine
• Molecular Formula: C₁₁H₁₆N₄O₂S
• Molecular Weight: 268.33
• CAS Registry Number: 74039-56-8
• SMILES: C(SC2=NC1=C(C(NC(N1C)=O)=O)[N]2C)CCC
• InChI: 1S/C11H16N4O2S/c1-4-5-6-18-11-12-8-7(14(11)2)9(16)13-10(17)15(8)3/h4-6H2,1-3H3,(H,13,16,17)
• InChIKey: BBNSRDNKKYPSNA-UHFFFAOYSA-N

Properties

• Density: 1.411g/cm³ (Cal.)