5-Benzyl-5-Butyl-2,4,6(1H,3H,5H)-Pyrimidinetrione
[CAS# 66941-94-4]

Identification

• Name: 5-Benzyl-5-Butyl-2,4,6(1H,3H,5H)-Pyrimidinetrione
• Synonyms: 5-Butyl-5-(Phenylmethyl)Hexahydropyrimidine-2,4,6-Trione; 5-(Benzyl)-5-Butyl-Barbituric Acid; 4-24-00-02102 (Beilstein Handbook Reference)
• Molecular Formula: C₁₅H₁₈N₂O₃
• Molecular Weight: 274.32
• CAS Registry Number: 66941-94-4
• SMILES: C1=CC=CC=C1CC2(C(NC(NC2=O)=O)=O)CCCC
• InChI: 1S/C15H18N2O3/c1-2-3-9-15(10-11-7-5-4-6-8-11)12(18)16-14(20)17-13(15)19/h4-8H,2-3,9-10H2,1H3,(H2,16,17,18,19,20)
• InChIKey: XDNQMQVXDKJOET-UHFFFAOYSA-N

Properties

• Density: 1.166g/cm³ (Cal.)