1,3-Dimethyl-2,6-Dioxo-7-[4-(2-Sulfosulfanylethylamino)Butyl]Purine
[CAS# 38920-53-5]

Identification

• Name: 1,3-Dimethyl-2,6-Dioxo-7-[4-(2-Sulfosulfanylethylamino)Butyl]Purine
• Synonyms: 1,3-Dimethyl-2,6-Dioxo-7-[4-[2-(Sulfothio)Ethylamino]Butyl]Purine; 2,6-Diketo-1,3-Dimethyl-7-[4-[2-(Sulfothio)Ethylamino]Butyl]Purine; 2-((4-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)Butyl)Amino)Ethanethiol, Hydrogen Sulfate (Ester)
• Molecular Formula: C₁₃H₂₁N₅O₅S₂
• Molecular Weight: 391.46
• CAS Registry Number: 38920-53-5
• SMILES: C1=NC2=C([N]1CCCCNCCS[S](=O)(=O)O)C(N(C(N2C)=O)C)=O
• InChI: 1S/C13H21N5O5S2/c1-16-11-10(12(19)17(2)13(16)20)18(9-15-11)7-4-3-5-14-6-8-24-25(21,22)23/h9,14H,3-8H2,1-2H3,(H,21,22,23)
• InChIKey: CABHMFXJRXJSQH-UHFFFAOYSA-N

Properties

• Density: 1.556g/cm³ (Cal.)