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CAS 301359-45-5

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5-Pyrimidinecarboxylic acid,4-(2-chlorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, ethyl ester

Description:
5-Pyrimidinecarboxylic acid, 4-(2-chlorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, ethyl ester, identified by CAS number 301359-45-5, is a chemical compound that features a pyrimidine ring substituted with various functional groups. This compound is characterized by its ethyl ester functionality, which typically enhances its solubility and bioavailability. The presence of a tetrahydro structure indicates that it has a saturated cyclic component, contributing to its stability and potentially influencing its reactivity. The 2-chlorophenyl group introduces a halogen, which can affect the compound's electronic properties and biological activity. Additionally, the thioxo group suggests the presence of sulfur, which may impart unique chemical reactivity and interactions. Overall, this compound may exhibit interesting pharmacological properties, making it a candidate for further research in medicinal chemistry. Its specific characteristics, such as melting point, boiling point, and solubility, would require empirical data for precise determination.
Formula:C14H15ClN2O2S
InChI:InChI=1S/C14H15ClN2O2S/c1-3-19-13(18)11-8(2)16-14(20)17-12(11)9-6-4-5-7-10(9)15/h4-7,12H,3H2,1-2H3,(H2,16,17,20)
InChI key:KQXFBPXQGHDFBT-UHFFFAOYSA-N
SMILES:CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2Cl)C
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