3-Ethyl-3,7-Dihydro-1H-Purine-2,6-Dione
[CAS# 41078-01-7]

Identification

• Name: 3-Ethyl-3,7-Dihydro-1H-Purine-2,6-Dione
• Synonyms: 3-Ethyl-7H-Purine-2,6-Quinone; Nsc515505
• Molecular Formula: C₇H₈N₄O₂
• Molecular Weight: 180.17
• CAS Registry Number: 41078-01-7
• SMILES: C2=NC1=C(C(NC(N1CC)=O)=O)[NH]2
• InChI: 1S/C7H8N4O2/c1-2-11-5-4(8-3-9-5)6(12)10-7(11)13/h3H,2H2,1H3,(H,8,9)(H,10,12,13)
• InChIKey: OTUCSVCIIQRSNG-UHFFFAOYSA-N

Properties

• Density: 1.436g/cm³ (Cal.)