CAS 76360-89-9

1-(1-Methylethyl)-7-(methylthio)-2H-pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione

Description:

1-(1-Methylethyl)-7-(methylthio)-2H-pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione, with the CAS number 76360-89-9, is a chemical compound that belongs to the class of pyrimidine derivatives. This compound features a complex bicyclic structure that includes both pyrimidine and oxazine rings, contributing to its unique chemical properties. The presence of a methylthio group enhances its reactivity and may influence its biological activity. Typically, compounds of this nature are studied for their potential pharmacological applications, including antimicrobial or anticancer properties. The molecular structure suggests that it may exhibit specific interactions with biological targets, making it of interest in medicinal chemistry. Additionally, the compound's stability, solubility, and reactivity can be influenced by the substituents on the rings, which may affect its behavior in various chemical environments. As with many organic compounds, understanding its characteristics requires consideration of its synthesis, potential applications, and safety profile in handling and usage.

Formula: C₁₀H₁₁N₃O₃S

InChI: InChI=1S/C10H11N3O3S/c1-5(2)13-7-6(8(14)16-10(13)15)4-11-9(12-7)17-3/h4-5H,1-3H3

InChI key: InChIKey=XHIMXDLDGFQIRM-UHFFFAOYSA-N

SMILES: C(C)(C)N1C=2C(C(=O)OC1=O)=CN=C(SC)N2

Synonyms:

• 1-(1-Methylethyl)-7-(methylthio)-2H-pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione
• 2H-Pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione, 1-(1-methylethyl)-7-(methylthio)-
• 1-Isopropyl-7-(methylthio)-1H-pyrimido[4,5-d][1,3]oxazine-2,4-dione