8-Amino-7-[(2E)-2-Buten-1-Yl]-3-Methyl-3,7-Dihydro-1H-Purine-2,6-Dione
[CAS# 303973-87-7]

Identification

• Name: 8-Amino-7-[(2E)-2-Buten-1-Yl]-3-Methyl-3,7-Dihydro-1H-Purine-2,6-Dione
• Synonyms: 7-((2E)but-2-enyl)-8-amino-3-methyl-1,3,7-trihydropurine-2,6-dione; 8-Amino-7-((E)-but-2-enyl)-3-methyl-3,7-dihydro-purine-2,6-dione
• Molecular Formula: C₁₀H₁₃N₅O₂
• Molecular Weight: 235.24
• CAS Registry Number: 303973-87-7
• SMILES: O=C2N(c1nc(n(c1C(=O)N2)C/C=C/C)N)C
• InChI: 1S/C10H13N5O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h3-4H,5H2,1-2H3,(H2,11,12)(H,13,16,17)/b4-3+
• InChIKey: JTLJRBWKPRBBGP-ONEGZZNKSA-N

Properties

• Density: 1.496g/cm³ (Cal.)
• Refractive index: 1.7 (Cal.)