5-Ethyl-5-Phenylpyrimidine-2,4,6(1H,3H,5H)-Trione Calcium (1:X) Salt
[CAS# 7645-06-9]

Identification

• Name: 5-Ethyl-5-Phenylpyrimidine-2,4,6(1H,3H,5H)-Trione Calcium (1:X) Salt
• Synonyms: Calcium 5-Ethyl-4,6-Diketo-5-Phenyl-1H-Pyrimidin-2-Olate; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-Cyclohexen-1-Yl)-5-Ethyl-, Calcium Salt (2:1); Barbituric Acid, 5-(1-Cyclohexen-1-Yl)-5-Ethyl-, Calcium Salt (2:1)
• Molecular Formula: C₂₄H₂₂CaN₄O₆
• Molecular Weight: 502.54
• CAS Registry Number: 7645-06-9 (6700-48-7)
• EINECS: 231-583-1
• SMILES: [N-]1C(=O)C(C(=O)NC1=O)(C2=CC=CC=C2)CC.[N-]3C(=O)C(C(=O)NC3=O)(C4=CC=CC=C4)CC.[Ca++]
• InChI: 1S/2C12H12N2O3.Ca/c2*1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h2*3-7H,2H2,1H3,(H2,13,14,15,16,17);/q;;+2/p-2
• InChIKey: ZETGTVOTPNZDKD-UHFFFAOYSA-L