8-[3-(1,3-Dimethyl-2,6-Dioxo-7H-Purin-8-Yl)Propyl]-1,3,7-Trimethyl-Purine-2,6-Dione
[CAS# 7252-38-2]

Identification

• Name: 8-[3-(1,3-Dimethyl-2,6-Dioxo-7H-Purin-8-Yl)Propyl]-1,3,7-Trimethyl-Purine-2,6-Dione
• Synonyms: 8-[3-(1,3-Dimethyl-2,6-Dioxo-7H-Purin-8-Yl)Propyl]-1,3,7-Trimethyl-Purine-2,6-Dione; 8-[3-(2,6-Diketo-1,3-Dimethyl-7H-Purin-8-Yl)Propyl]-1,3,7-Trimethyl-Xanthine; Nsc23586
• Molecular Formula: C₁₈H₂₂N₈O₄
• Molecular Weight: 414.42
• CAS Registry Number: 7252-38-2
• SMILES: C(CCC1=NC2=C([NH]1)C(=O)N(C)C(N2C)=O)C3=NC4=C([N]3C)C(N(C)C(N4C)=O)=O
• InChI: 1S/C18H22N8O4/c1-22-10(21-14-12(22)16(28)26(5)18(30)24(14)3)8-6-7-9-19-11-13(20-9)23(2)17(29)25(4)15(11)27/h6-8H2,1-5H3,(H,19,20)
• InChIKey: UGLNWWGMHZEWGJ-UHFFFAOYSA-N

Properties

• Density: 1.588g/cm³ (Cal.)
• Boiling point: 755.292°C at 760 mmHg (Cal.)
• Flash point: 410.586°C (Cal.)