5-[2-Amino-9-(2-Methylpropyl)Purin-6-Yl]Sulfanyl-N-Hydroxy-1-Methylimidazol-4-Amine Oxide
[CAS# 36892-43-0]

Identification

• Name: 5-[2-Amino-9-(2-Methylpropyl)Purin-6-Yl]Sulfanyl-N-Hydroxy-1-Methylimidazol-4-Amine Oxide
• Synonyms: N-[5-[2-Amino-9-(2-Methylpropyl)Purin-6-Yl]Sulfanyl-1-Methylimidazol-4-Yl]-N-Oxidohydroxylamine; 6-(3-Methyl-5-Nitroimidazol-4-Yl)Sulfanyl-9-(2-Methylpropyl)Purin-2-Amine; 5-(2-Amino-9-Isobutyl-Purin-6-Yl)Sulfanyl-N-Hydroxy-1-Methyl-Imidazol-4-Amine Oxide
• Molecular Formula: C₁₃H₁₆N₈O₂S
• Molecular Weight: 348.38
• CAS Registry Number: 36892-43-0
• SMILES: C1=NC2=C([N]1CC(C)C)N=C(N=C2SC3=C(N=C[N]3C)[N+]([O-])=O)N
• InChI: 1S/C13H16N8O2S/c1-7(2)4-20-6-15-8-9(20)17-13(14)18-11(8)24-12-10(21(22)23)16-5-19(12)3/h5-7H,4H2,1-3H3,(H2,14,17,18)
• InChIKey: SEIMKLNUEAPZHV-UHFFFAOYSA-N

Properties

• Density: 1.652g/cm³ (Cal.)
• Boiling point: 663.557°C at 760 mmHg (Cal.)
• Flash point: 355.107°C (Cal.)