8-[(E)-2-(2-Bromo-4,5-Dimethoxyphenyl)Ethenyl]-1,3-Diethyl-7-Methylpurine-2,6-Dione
[CAS# 155271-53-7]

Identification

• Name: 8-[(E)-2-(2-Bromo-4,5-Dimethoxyphenyl)Ethenyl]-1,3-Diethyl-7-Methylpurine-2,6-Dione
• Synonyms: 8-[(E)-2-(2-Bromo-4,5-Dimethoxy-Phenyl)Vinyl]-1,3-Diethyl-7-Methyl-Purine-2,6-Dione; 8-[(E)-2-(2-Bromo-4,5-Dimethoxyphenyl)Vinyl]-1,3-Diethyl-7-Methylpurine-2,6-Dione; 8-[(E)-2-(2-Bromo-4,5-Dimethoxy-Phenyl)Vinyl]-1,3-Diethyl-7-Methyl-Xanthine
• Molecular Formula: C₂₀H₂₃BrN₄O₄
• Molecular Weight: 463.33
• CAS Registry Number: 155271-53-7
• SMILES: C3=C(/C=C/C1=NC2=C([N]1C)C(=O)N(C(=O)N2CC)CC)C(=CC(=C3OC)OC)Br
• InChI: 1S/C20H23BrN4O4/c1-6-24-18-17(19(26)25(7-2)20(24)27)23(3)16(22-18)9-8-12-10-14(28-4)15(29-5)11-13(12)21/h8-11H,6-7H2,1-5H3/b9-8+
• InChIKey: DKVGYPBONVHACP-CMDGGOBGSA-N

Properties

• Density: 1.44g/cm³ (Cal.)
• Boiling point: 631.697°C at 760 mmHg (Cal.)
• Flash point: 335.839°C (Cal.)