1,3-Diethyl-7-Methyl-8-[(E)-2-[3-(Phenoxy)Phenyl]Ethenyl]Purine-2,6-Dione
[CAS# 155814-36-1]

Identification

• Name: 1,3-Diethyl-7-Methyl-8-[(E)-2-[3-(Phenoxy)Phenyl]Ethenyl]Purine-2,6-Dione
• Synonyms: 1,3-Diethyl-7-Methyl-8-[(E)-2-[3-(Phenoxy)Phenyl]Vinyl]Purine-2,6-Dione; 1,3-Diethyl-7-Methyl-8-[(E)-2-[3-(Phenoxy)Phenyl]Vinyl]Xanthine; (E)-1,3-Diethyl-7-Methyl-8-(2-(3-Phenoxyphenyl)Ethenyl)-3,7-Dihydro-1H-Purine-2,6-Dione
• Molecular Formula: C₂₄H₂₄N₄O₃
• Molecular Weight: 416.48
• CAS Registry Number: 155814-36-1
• SMILES: C2=C(OC1=CC=CC=C1)C=CC=C2/C=C/C3=NC4=C([N]3C)C(=O)N(C(=O)N4CC)CC
• InChI: 1S/C24H24N4O3/c1-4-27-22-21(23(29)28(5-2)24(27)30)26(3)20(25-22)15-14-17-10-9-13-19(16-17)31-18-11-7-6-8-12-18/h6-16H,4-5H2,1-3H3/b15-14+
• InChIKey: VVBQOSJASCHAFT-CCEZHUSRSA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 629.352°C at 760 mmHg (Cal.)
• Flash point: 334.42°C (Cal.)