Ethyl 2-[4-[(E)-2-(1,3-Diethyl-7-Methyl-2,6-Dioxopurin-8-Yl)Ethenyl]Phenoxy]Acetate
[CAS# 155272-10-9]

Identification

• Name: Ethyl 2-[4-[(E)-2-(1,3-Diethyl-7-Methyl-2,6-Dioxopurin-8-Yl)Ethenyl]Phenoxy]Acetate
• Synonyms: Ethyl 2-[4-[(E)-2-(1,3-Diethyl-7-Methyl-2,6-Dioxo-Purin-8-Yl)Vinyl]Phenoxy]Acetate; 2-[4-[(E)-2-(1,3-Diethyl-7-Methyl-2,6-Dioxo-8-Purinyl)Vinyl]Phenoxy]Acetic Acid Ethyl Ester; 2-[4-[(E)-2-(1,3-Diethyl-2,6-Diketo-7-Methyl-Purin-8-Yl)Vinyl]Phenoxy]Acetic Acid Ethyl Ester
• Molecular Formula: C₂₂H₂₆N₄O₅
• Molecular Weight: 426.47
• CAS Registry Number: 155272-10-9
• SMILES: C3=C(/C=C/C1=NC2=C([N]1C)C(=O)N(C(=O)N2CC)CC)C=CC(=C3)OCC(OCC)=O
• InChI: 1S/C22H26N4O5/c1-5-25-20-19(21(28)26(6-2)22(25)29)24(4)17(23-20)13-10-15-8-11-16(12-9-15)31-14-18(27)30-7-3/h8-13H,5-7,14H2,1-4H3/b13-10+
• InChIKey: OZUNVAJJGHFTJB-JLHYYAGUSA-N

Properties

• Density: 1.257g/cm³ (Cal.)
• Boiling point: 635.367°C at 760 mmHg (Cal.)
• Flash point: 338.058°C (Cal.)