(8E)-8-[(2Z)-2-(3-Hydroxy-4-Oxo-1-Cyclohexa-2,5-Dienylidene)Ethylidene]-7-Methyl-1,3-Dipropyl-9H-Purine-2,6-Dione
[CAS# 151539-46-7]

Identification

• Name: (8E)-8-[(2Z)-2-(3-Hydroxy-4-Oxo-1-Cyclohexa-2,5-Dienylidene)Ethylidene]-7-Methyl-1,3-Dipropyl-9H-Purine-2,6-Dione
• Synonyms: (8E)-8-[(2Z)-2-(3-Hydroxy-4-Keto-1-Cyclohexa-2,5-Dienylidene)Ethylidene]-7-Methyl-1,3-Dipropyl-9H-Purine-2,6-Quinone; (E)-8-(3,4-Dihydroxystyryl)-7-Methyl-1,3-Dipropylxanthine; 1H-Purine-2,6-Dione, 3,7-Dihydro-8-(2-(3,4-Dihydroxyphenyl)Ethenyl)-1,3-Dipropyl-7-Methyl-, (E)-
• Molecular Formula: C₂₀H₂₄N₄O₄
• Molecular Weight: 384.43
• CAS Registry Number: 151539-46-7
• SMILES: C(N3C1=C(N(\C(N1)=C\C=C2/C=C(O)C(=O)C=C2)C)C(=O)N(C3=O)CCC)CC
• InChI: 1S/C20H24N4O4/c1-4-10-23-18-17(19(27)24(11-5-2)20(23)28)22(3)16(21-18)9-7-13-6-8-14(25)15(26)12-13/h6-9,12,21,26H,4-5,10-11H2,1-3H3/b13-7-,16-9+
• InChIKey: FBOKQAMXUDTPJN-QTCSPDQCSA-N

Properties

• Density: 1.364g/cm³ (Cal.)
• Boiling point: 499.046°C at 760 mmHg (Cal.)
• Flash point: 255.614°C (Cal.)