(8E)-1,3-Diethyl-7-Methyl-8-[2-(4-Oxo-1-Cyclohexa-2,5-Dienylidene)Ethylidene]-9H-Purine-2,6-Dione
[CAS# 155272-05-2]

Identification

• Name: (8E)-1,3-Diethyl-7-Methyl-8-[2-(4-Oxo-1-Cyclohexa-2,5-Dienylidene)Ethylidene]-9H-Purine-2,6-Dione
• Synonyms: (8E)-1,3-Diethyl-8-[2-(4-Keto-1-Cyclohexa-2,5-Dienylidene)Ethylidene]-7-Methyl-9H-Purine-2,6-Quinone; (E)-1,3-Diethyl-8-(2-(4-Hydroxyphenyl)Ethenyl)-7-Methyl-3,7-Dihydro-1H-Purine-2,6-Dione; (E)-1,3-Diethyl-8-(4-Hydroxystyryl)-7-Methylxanthine
• Molecular Formula: C₁₈H₂₀N₄O₃
• Molecular Weight: 340.38
• CAS Registry Number: 155272-05-2
• SMILES: C(N3C1=C(N(\C(N1)=C\C=C2C=CC(=O)C=C2)C)C(=O)N(C3=O)CC)C
• InChI: 1S/C18H20N4O3/c1-4-21-16-15(17(24)22(5-2)18(21)25)20(3)14(19-16)11-8-12-6-9-13(23)10-7-12/h6-11,19H,4-5H2,1-3H3/b14-11+
• InChIKey: NNWIGABKOFWRAX-SDNWHVSQSA-N

Properties

• Density: 1.349g/cm³ (Cal.)
• Boiling point: 482.019°C at 760 mmHg (Cal.)
• Flash point: 245.317°C (Cal.)