5-Butyl-5-Ethyl-1-Phenyl-2,4,6(1H,3H,5H)-Pyrimidinetrione
[CAS# 67050-28-6]

Identification

• Name: 5-Butyl-5-Ethyl-1-Phenyl-2,4,6(1H,3H,5H)-Pyrimidinetrione
• Synonyms: 5-Butyl-5-Ethyl-1-Phenyl-Hexahydropyrimidine-2,4,6-Trione; 5-Butyl-5-Ethyl-1-Phenylhexahydropyrimidine-2,4,6-Trione; 5-Butyl-5-Ethyl-1-Phenyl-Barbituric Acid
• Molecular Formula: C₁₆H₂₀N₂O₃
• Molecular Weight: 288.35
• CAS Registry Number: 67050-28-6
• SMILES: C2=C(N1C(=O)C(C(=O)NC1=O)(CCCC)CC)C=CC=C2
• InChI: 1S/C16H20N2O3/c1-3-5-11-16(4-2)13(19)17-15(21)18(14(16)20)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3,(H,17,19,21)
• InChIKey: ZGHDFVVXOYKDBZ-UHFFFAOYSA-N

Properties

• Density: 1.136g/cm³ (Cal.)