8-[(E)-2-(3-Bromo-4-Methoxyphenyl)Ethenyl]-1,3-Diethyl-7H-Purine-2,6-Dione
[CAS# 155271-48-0]

Identification

• Name: 8-[(E)-2-(3-Bromo-4-Methoxyphenyl)Ethenyl]-1,3-Diethyl-7H-Purine-2,6-Dione
• Synonyms: 8-[(E)-2-(3-Bromo-4-Methoxy-Phenyl)Vinyl]-1,3-Diethyl-7H-Purine-2,6-Dione; 8-[(E)-2-(3-Bromo-4-Methoxyphenyl)Vinyl]-1,3-Diethyl-7H-Purine-2,6-Dione; 8-[(E)-2-(3-Bromo-4-Methoxy-Phenyl)Vinyl]-1,3-Diethyl-7H-Purine-2,6-Quinone
• Molecular Formula: C₁₈H₁₉BrN₄O₃
• Molecular Weight: 419.28
• CAS Registry Number: 155271-48-0
• SMILES: C1=C(C(=CC=C1/C=C/C2=NC3=C([NH]2)C(N(C(N3CC)=O)CC)=O)OC)Br
• InChI: 1S/C18H19BrN4O3/c1-4-22-16-15(17(24)23(5-2)18(22)25)20-14(21-16)9-7-11-6-8-13(26-3)12(19)10-11/h6-10H,4-5H2,1-3H3,(H,20,21)/b9-7+
• InChIKey: SBUXPWCFVRLFGI-VQHVLOKHSA-N

Properties

• Density: 1.49g/cm³ (Cal.)
• Boiling point: 632.721°C at 760 mmHg (Cal.)
• Flash point: 336.458°C (Cal.)