2-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)Ethyl 2-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)Acetate
[CAS# 169563-63-7]

Identification

• Name: 2-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)Ethyl 2-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)Acetate
• Synonyms: 2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Ethyl 2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Acetate; 2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Acetic Acid 2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Ethyl Ester; 2-(2,6-Diketo-1,3-Dimethyl-Purin-7-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: 169563-63-7
• SMILES: C1=NC4=C([N]1CC(OCC[N]3C2=C(N(C(=O)N(C2=O)C)C)N=C3)=O)C(=O)N(C(=O)N4C)C
• InChI: 1S/C18H20N8O6/c1-21-13-11(15(28)23(3)17(21)30)25(8-19-13)5-6-32-10(27)7-26-9-20-14-12(26)16(29)24(4)18(31)22(14)2/h8-9H,5-7H2,1-4H3
• InChIKey: WVDUSVOAXNYKFG-UHFFFAOYSA-N

Properties

• Density: 1.636g/cm³ (Cal.)
• Boiling point: 777.966°C at 760 mmHg (Cal.)
• Flash point: 424.298°C (Cal.)