3,7-Dimethyl-8-Propylsulfanylpurine-2,6-Dione
[CAS# 74039-58-0]

Identification

• Name: 3,7-Dimethyl-8-Propylsulfanylpurine-2,6-Dione
• Synonyms: 3,7-Dimethyl-8-Propylsulfanyl-Purine-2,6-Dione; 3,7-Dimethyl-8-(Propylthio)Purine-2,6-Dione; 3,7-Dimethyl-8-(Propylthio)Xanthine
• Molecular Formula: C₁₀H₁₄N₄O₂S
• Molecular Weight: 254.31
• CAS Registry Number: 74039-58-0
• SMILES: C(SC2=NC1=C(C(=O)NC(N1C)=O)[N]2C)CC
• InChI: 1S/C10H14N4O2S/c1-4-5-17-10-11-7-6(13(10)2)8(15)12-9(16)14(7)3/h4-5H2,1-3H3,(H,12,15,16)
• InChIKey: OWVDTHIYHTUYFI-UHFFFAOYSA-N

Properties

• Density: 1.461g/cm³ (Cal.)