8-Heptylsulfanyl-3,7-Dihydropurine-2,6-Dione
[CAS# 73840-30-9]

Identification

• Name: 8-Heptylsulfanyl-3,7-Dihydropurine-2,6-Dione
• Synonyms: 8-(Heptylthio)-3,7-Dihydropurine-2,6-Dione; 8-(Heptylthio)-7H-Xanthine; Nsc81504
• Molecular Formula: C₁₂H₁₈N₄O₂S
• Molecular Weight: 282.36
• CAS Registry Number: 73840-30-9
• SMILES: C(SC1=NC2=C([NH]1)C(NC(N2)=O)=O)CCCCCC
• InChI: 1S/C12H18N4O2S/c1-2-3-4-5-6-7-19-12-13-8-9(15-12)14-11(18)16-10(8)17/h2-7H2,1H3,(H3,13,14,15,16,17,18)
• InChIKey: JTVLGYIEMWWNRW-UHFFFAOYSA-N

Properties

• Density: 1.319g/cm³ (Cal.)