5-Sec-Butyl-5-(Butylthiomethyl)-2-Sodiooxy-4,6(1H,5H)-Pyrimidinedione
[CAS# 67050-23-1]

Identification

• Name: 5-Sec-Butyl-5-(Butylthiomethyl)-2-Sodiooxy-4,6(1H,5H)-Pyrimidinedione
• Synonyms: Sodium 5-(Butylsulfanylmethyl)-4,6-Dioxo-5-Sec-Butyl-1H-Pyrimidin-2-Olate; Sodium 5-[(Butylthio)Methyl]-4,6-Dioxo-5-Sec-Butyl-1H-Pyrimidin-2-Olate; Sodium 5-[(Butylthio)Methyl]-4,6-Diketo-5-Sec-Butyl-1H-Pyrimidin-2-Olate
• Molecular Formula: C₁₃H₂₁N₂NaO₃S
• Molecular Weight: 308.37
• CAS Registry Number: 67050-23-1
• SMILES: C(SCCCC)C1(C(=O)[N-]C(=O)NC1=O)C(CC)C.[Na+]
• InChI: 1S/C13H22N2O3S.Na/c1-4-6-7-19-8-13(9(3)5-2)10(16)14-12(18)15-11(13)17;/h9H,4-8H2,1-3H3,(H2,14,15,16,17,18);/q;+1/p-1
• InChIKey: MDGABSLUSUJQKQ-UHFFFAOYSA-M