1,3-Diethyl-8-[(E)-2-(7-Methoxy-1,3-Benzodioxol-5-Yl)Ethenyl]-7-Methylpurine-2,6-Dione
[CAS# 155272-00-7]

Identification

• Name: 1,3-Diethyl-8-[(E)-2-(7-Methoxy-1,3-Benzodioxol-5-Yl)Ethenyl]-7-Methylpurine-2,6-Dione
• Synonyms: 1,3-Diethyl-8-[(E)-2-(7-Methoxy-1,3-Benzodioxol-5-Yl)Vinyl]-7-Methyl-Purine-2,6-Dione; 1,3-Diethyl-8-[(E)-2-(7-Methoxy-1,3-Benzodioxol-5-Yl)Vinyl]-7-Methylpurine-2,6-Dione; 1,3-Diethyl-8-[(E)-2-(7-Methoxy-1,3-Benzodioxol-5-Yl)Vinyl]-7-Methyl-Xanthine
• Molecular Formula: C₂₀H₂₂N₄O₅
• Molecular Weight: 398.42
• CAS Registry Number: 155272-00-7
• SMILES: C2=C1OCOC1=C(OC)C=C2/C=C/C3=NC4=C([N]3C)C(=O)N(C(=O)N4CC)CC
• InChI: 1S/C20H22N4O5/c1-5-23-18-16(19(25)24(6-2)20(23)26)22(3)15(21-18)8-7-12-9-13(27-4)17-14(10-12)28-11-29-17/h7-10H,5-6,11H2,1-4H3/b8-7+
• InChIKey: SIWPOSYYZOQAMH-BQYQJAHWSA-N

Properties

• Density: 1.383g/cm³ (Cal.)
• Boiling point: 615.495°C at 760 mmHg (Cal.)
• Flash point: 326.04°C (Cal.)