1-(5-Hydroxyhexyl)-3,7-Dimethylpurine-2,6-Dione
[CAS# 100324-81-0]

Identification

• Name: 1-(5-Hydroxyhexyl)-3,7-Dimethylpurine-2,6-Dione
• Synonyms: 1-(5-Hydroxyhexyl)-3,7-Dimethyl-Purine-2,6-Dione; 1-(5-Hydroxyhexyl)-3,7-Dimethyl-Xanthine; 1-(5'-Hydroxyhexyl)-3,7-Dimethylxanthine
• Molecular Formula: C₁₃H₂₀N₄O₃
• Molecular Weight: 280.33
• CAS Registry Number: 100324-81-0
• SMILES: C2=NC1=C(C(N(CCCCC(C)O)C(N1C)=O)=O)[N]2C
• InChI: 1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3
• InChIKey: NSMXQKNUPPXBRG-UHFFFAOYSA-N