5-[5-(1,3-Diethyl-1,2,3,4-Tetrahydro-6-Hydroxy-2,4-Dioxo-5-Pyrimidinyl)Penta-2,4-Dienylidene]-1,3-Diethylbarbituric Acid
[CAS# 54444-01-8]

Identification

• Name: 5-[5-(1,3-Diethyl-1,2,3,4-Tetrahydro-6-Hydroxy-2,4-Dioxo-5-Pyrimidinyl)Penta-2,4-Dienylidene]-1,3-Diethylbarbituric Acid
• Synonyms: 5-[(2E,4E)-5-(1,3-Diethyl-4-Hydroxy-2,6-Dioxo-Pyrimidin-5-Yl)Penta-2,4-Dienylidene]-1,3-Diethyl-Hexahydropyrimidine-2,4,6-Trione; 5-[(2E,4E)-5-(1,3-Diethyl-4-Hydroxy-2,6-Dioxo-5-Pyrimidinyl)Penta-2,4-Dienylidene]-1,3-Diethylhexahydropyrimidine-2,4,6-Trione; 5-[(2E,4E)-5-(1,3-Diethyl-4-Hydroxy-2,6-Diketo-Pyrimidin-5-Yl)Penta-2,4-Dienylidene]-1,3-Diethyl-Barbituric Acid
• Molecular Formula: C₂₁H₂₆N₄O₆
• Molecular Weight: 430.46
• CAS Registry Number: 54444-01-8
• EINECS: 259-165-4
• SMILES: C(N1C(=O)C(=C(O)N(C1=O)CC)\C=C\C=C\C=C2C(=O)N(C(=O)N(C2=O)CC)CC)C
• InChI: 1S/C21H26N4O6/c1-5-22-16(26)14(17(27)23(6-2)20(22)30)12-10-9-11-13-15-18(28)24(7-3)21(31)25(8-4)19(15)29/h9-13,26H,5-8H2,1-4H3/b11-9+,12-10+
• InChIKey: KOFZFWFIYXNDHR-WGDLNXRISA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 482.249°C at 760 mmHg (Cal.)
• Flash point: 245.456°C (Cal.)