(8E)-1,3-Diethyl-8-[2-(4-Oxo-1-Cyclohexa-2,5-Dienylidene)Ethylidene]-7,9-Dihydropurine-2,6-Dione
[CAS# 155272-14-3]

Identification

• Name: (8E)-1,3-Diethyl-8-[2-(4-Oxo-1-Cyclohexa-2,5-Dienylidene)Ethylidene]-7,9-Dihydropurine-2,6-Dione
• Synonyms: (8E)-1,3-Diethyl-8-[2-(4-Keto-1-Cyclohexa-2,5-Dienylidene)Ethylidene]-7,9-Dihydropurine-2,6-Quinone; (E)-1,3-Diethyl-8-(2-(4-Hydroxyphenyl)Ethenyl)-3,7-Dihydro-1H-Purine-2,6-Dione; (E)-1,3-Diethyl-8-(4-Hydroxystyryl)Xanthine
• Molecular Formula: C₁₇H₁₈N₄O₃
• Molecular Weight: 326.35
• CAS Registry Number: 155272-14-3
• SMILES: C(N3C1=C(NC(/N1)=C\C=C2C=CC(=O)C=C2)C(=O)N(C3=O)CC)C
• InChI: 1S/C17H18N4O3/c1-3-20-15-14(16(23)21(4-2)17(20)24)18-13(19-15)10-7-11-5-8-12(22)9-6-11/h5-10,18-19H,3-4H2,1-2H3/b13-10+
• InChIKey: LOMRVCHJXHGCSD-JLHYYAGUSA-N

Properties

• Density: 1.375g/cm³ (Cal.)
• Boiling point: 489.994°C at 760 mmHg (Cal.)
• Flash point: 250.14°C (Cal.)