8-[(E)-2-(2-Chloro-3,4-Dimethoxyphenyl)Ethenyl]-1,3-Dimethyl-7H-Purine-2,6-Dione
[CAS# 155271-44-6]

Identification

• Name: 8-[(E)-2-(2-Chloro-3,4-Dimethoxyphenyl)Ethenyl]-1,3-Dimethyl-7H-Purine-2,6-Dione
• Synonyms: 8-[(E)-2-(2-Chloro-3,4-Dimethoxy-Phenyl)Vinyl]-1,3-Dimethyl-7H-Purine-2,6-Dione; 8-[(E)-2-(2-Chloro-3,4-Dimethoxyphenyl)Vinyl]-1,3-Dimethyl-7H-Purine-2,6-Dione; 8-[(E)-2-(2-Chloro-3,4-Dimethoxy-Phenyl)Vinyl]-1,3-Dimethyl-7H-Purine-2,6-Quinone
• Molecular Formula: C₁₇H₁₇ClN₄O₄
• Molecular Weight: 376.80
• CAS Registry Number: 155271-44-6
• SMILES: C1=C(C(=C(C(=C1)/C=C/C2=NC3=C([NH]2)C(N(C(N3C)=O)C)=O)Cl)OC)OC
• InChI: 1S/C17H17ClN4O4/c1-21-15-13(16(23)22(2)17(21)24)19-11(20-15)8-6-9-5-7-10(25-3)14(26-4)12(9)18/h5-8H,1-4H3,(H,19,20)/b8-6+
• InChIKey: NRTDUBYEUVUYIX-SOFGYWHQSA-N

Properties

• Density: 1.416g/cm³ (Cal.)
• Boiling point: 624.741°C at 760 mmHg (Cal.)
• Flash point: 331.632°C (Cal.)