8-[(E)-2-(4,5-Dimethoxy-2-Nitrophenyl)Ethenyl]-1,3-Diethyl-7-Methylpurine-2,6-Dione
[CAS# 155271-55-9]

Identification

• Name: 8-[(E)-2-(4,5-Dimethoxy-2-Nitrophenyl)Ethenyl]-1,3-Diethyl-7-Methylpurine-2,6-Dione
• Synonyms: 8-[(E)-2-(4,5-Dimethoxy-2-Nitro-Phenyl)Vinyl]-1,3-Diethyl-7-Methyl-Purine-2,6-Dione; 8-[(E)-2-(4,5-Dimethoxy-2-Nitrophenyl)Vinyl]-1,3-Diethyl-7-Methylpurine-2,6-Dione; 8-[(E)-2-(4,5-Dimethoxy-2-Nitro-Phenyl)Vinyl]-1,3-Diethyl-7-Methyl-Xanthine
• Molecular Formula: C₂₀H₂₃N₅O₆
• Molecular Weight: 429.43
• CAS Registry Number: 155271-55-9
• SMILES: C1=C(C(=CC(=C1OC)OC)[N+]([O-])=O)/C=C/C2=NC3=C([N]2C)C(=O)N(C(=O)N3CC)CC
• InChI: 1S/C20H23N5O6/c1-6-23-18-17(19(26)24(7-2)20(23)27)22(3)16(21-18)9-8-12-10-14(30-4)15(31-5)11-13(12)25(28)29/h8-11H,6-7H2,1-5H3/b9-8+
• InChIKey: ASQMWQITGQMCQB-CMDGGOBGSA-N

Properties

• Density: 1.366g/cm³ (Cal.)
• Boiling point: 685.692°C at 760 mmHg (Cal.)
• Flash point: 368.493°C (Cal.)