3-Butyl-3,7-Dihydro-1H-Purine-2,6-Dione
[CAS# 41078-03-9]

Identification

• Name: 3-Butyl-3,7-Dihydro-1H-Purine-2,6-Dione
• Synonyms: 3-Butyl-7H-Purine-2,6-Quinone; D 4031; 1H-Purine-2,6-Dione, 3,7-Dihydro-3-Butyl-
• Molecular Formula: C₉H₁₂N₄O₂
• Molecular Weight: 208.22
• CAS Registry Number: 41078-03-9
• SMILES: C2=NC1=C(C(NC(N1CCCC)=O)=O)[NH]2
• InChI: 1S/C9H12N4O2/c1-2-3-4-13-7-6(10-5-11-7)8(14)12-9(13)15/h5H,2-4H2,1H3,(H,10,11)(H,12,14,15)
• InChIKey: RDIDOICNEQWODO-UHFFFAOYSA-N

Properties

• Density: 1.314g/cm³ (Cal.)