2-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)Ethyl 2-(3,7-Dimethyl-2,6-Dioxopurin-1-Yl)Acetate
[CAS# 169563-64-8]

Identification

• Name: 2-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)Ethyl 2-(3,7-Dimethyl-2,6-Dioxopurin-1-Yl)Acetate
• Synonyms: 2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Ethyl 2-(3,7-Dimethyl-2,6-Dioxo-Purin-1-Yl)Acetate; 2-(3,7-Dimethyl-2,6-Dioxo-1-Purinyl)Acetic Acid 2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Ethyl Ester; 2-(2,6-Diketo-3,7-Dimethyl-Purin-1-Yl)Acetic Acid 2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Ethyl Ester
• Molecular Formula: C₁₈H₂₀N₈O₆
• Molecular Weight: 444.41
• CAS Registry Number: 169563-64-8
• SMILES: C1=NC2=C([N]1C)C(N(C(N2C)=O)CC(=O)OCC[N]3C=NC4=C3C(N(C(N4C)=O)C)=O)=O
• InChI: 1S/C18H20N8O6/c1-21-8-19-13-11(21)16(29)26(18(31)23(13)3)7-10(27)32-6-5-25-9-20-14-12(25)15(28)24(4)17(30)22(14)2/h8-9H,5-7H2,1-4H3
• InChIKey: JAEGIYJSSNGMGC-UHFFFAOYSA-N

Properties

• Density: 1.636g/cm³ (Cal.)
• Boiling point: 781.433°C at 760 mmHg (Cal.)
• Flash point: 426.396°C (Cal.)