8-[(E)-2-(2-Chloro-3,4-Dimethoxyphenyl)Ethenyl]-1,3-Diethyl-7H-Purine-2,6-Dione
[CAS# 155271-42-4]

Identification

• Name: 8-[(E)-2-(2-Chloro-3,4-Dimethoxyphenyl)Ethenyl]-1,3-Diethyl-7H-Purine-2,6-Dione
• Synonyms: 8-[(E)-2-(2-Chloro-3,4-Dimethoxy-Phenyl)Vinyl]-1,3-Diethyl-7H-Purine-2,6-Dione; 8-[(E)-2-(2-Chloro-3,4-Dimethoxyphenyl)Vinyl]-1,3-Diethyl-7H-Purine-2,6-Dione; 8-[(E)-2-(2-Chloro-3,4-Dimethoxy-Phenyl)Vinyl]-1,3-Diethyl-7H-Purine-2,6-Quinone
• Molecular Formula: C₁₉H₂₁ClN₄O₄
• Molecular Weight: 404.85
• CAS Registry Number: 155271-42-4
• SMILES: C1=C(C(=C(C(=C1)/C=C/C2=NC3=C([NH]2)C(N(C(N3CC)=O)CC)=O)Cl)OC)OC
• InChI: 1S/C19H21ClN4O4/c1-5-23-17-15(18(25)24(6-2)19(23)26)21-13(22-17)10-8-11-7-9-12(27-3)16(28-4)14(11)20/h7-10H,5-6H2,1-4H3,(H,21,22)/b10-8+
• InChIKey: ZNDCDCSHKOAZIS-CSKARUKUSA-N

Properties

• Density: 1.344g/cm³ (Cal.)
• Boiling point: 634.874°C at 760 mmHg (Cal.)
• Flash point: 337.76°C (Cal.)