8-[(E)-2-(2-Bromo-4,5-Dimethoxyphenyl)Ethenyl]-1,3-Diethyl-7H-Purine-2,6-Dione
[CAS# 155271-52-6]

Identification

• Name: 8-[(E)-2-(2-Bromo-4,5-Dimethoxyphenyl)Ethenyl]-1,3-Diethyl-7H-Purine-2,6-Dione
• Synonyms: 8-[(E)-2-(2-Bromo-4,5-Dimethoxy-Phenyl)Vinyl]-1,3-Diethyl-7H-Purine-2,6-Dione; 8-[(E)-2-(2-Bromo-4,5-Dimethoxyphenyl)Vinyl]-1,3-Diethyl-7H-Purine-2,6-Dione; 8-[(E)-2-(2-Bromo-4,5-Dimethoxy-Phenyl)Vinyl]-1,3-Diethyl-7H-Purine-2,6-Quinone
• Molecular Formula: C₁₉H₂₁BrN₄O₄
• Molecular Weight: 449.30
• CAS Registry Number: 155271-52-6
• SMILES: C1=C(C(=CC(=C1OC)OC)/C=C/C2=NC3=C([NH]2)C(N(C(N3CC)=O)CC)=O)Br
• InChI: 1S/C19H21BrN4O4/c1-5-23-17-16(18(25)24(6-2)19(23)26)21-15(22-17)8-7-11-9-13(27-3)14(28-4)10-12(11)20/h7-10H,5-6H2,1-4H3,(H,21,22)/b8-7+
• InChIKey: DSAOORGLQRANBW-BQYQJAHWSA-N

Properties

• Density: 1.471g/cm³ (Cal.)
• Boiling point: 643.578°C at 760 mmHg (Cal.)
• Flash point: 343.024°C (Cal.)