3-(2,2-Dimethylpropyl)-7H-Purine-2,6-Dione
[CAS# 75914-87-3]

Identification

• Name: 3-(2,2-Dimethylpropyl)-7H-Purine-2,6-Dione
• Synonyms: 3-Neopentyl-7H-Purine-2,6-Quinone; 1H-Purine-2,6-Dione, 3,7-Dihydro-3-(2,2-Dimethylpropyl)-; 3,7-Dihydro-3-(2,2-Dimethylpropyl)-1H-Purine-2,6-Dione
• Molecular Formula: C₁₀H₁₄N₄O₂
• Molecular Weight: 222.25
• CAS Registry Number: 75914-87-3
• SMILES: C1=NC2=C([NH]1)C(NC(N2CC(C)(C)C)=O)=O
• InChI: 1S/C10H14N4O2/c1-10(2,3)4-14-7-6(11-5-12-7)8(15)13-9(14)16/h5H,4H2,1-3H3,(H,11,12)(H,13,15,16)
• InChIKey: JJWWTHLTVJGGOA-UHFFFAOYSA-N

Properties

• Density: 1.27g/cm³ (Cal.)