1,3-Diethyl-8-[(E)-2-(2-Fluorophenyl)Ethenyl]-7H-Purine-2,6-Dione
[CAS# 155271-90-2]

Identification

• Name: 1,3-Diethyl-8-[(E)-2-(2-Fluorophenyl)Ethenyl]-7H-Purine-2,6-Dione
• Synonyms: 1,3-Diethyl-8-[(E)-2-(2-Fluorophenyl)Vinyl]-7H-Purine-2,6-Dione; 1,3-Diethyl-8-[(E)-2-(2-Fluorophenyl)Vinyl]-7H-Purine-2,6-Quinone; (E)-1,3-Diethyl-8-(2-(2-Fluorophenyl)Ethenyl)-3,7-Dihydro-1H-Purine-2,6-Dione
• Molecular Formula: C₁₇H₁₇FN₄O₂
• Molecular Weight: 328.35
• CAS Registry Number: 155271-90-2
• SMILES: C1=C(C(=CC=C1)/C=C/C2=NC3=C([NH]2)C(N(C(N3CC)=O)CC)=O)F
• InChI: 1S/C17H17FN4O2/c1-3-21-15-14(16(23)22(4-2)17(21)24)19-13(20-15)10-9-11-7-5-6-8-12(11)18/h5-10H,3-4H2,1-2H3,(H,19,20)/b10-9+
• InChIKey: GQASYARGKGWOGS-MDZDMXLPSA-N

Properties

• Density: 1.337g/cm³ (Cal.)
• Boiling point: 554.77°C at 760 mmHg (Cal.)
• Flash point: 289.314°C (Cal.)