CAS 6312-53-4

5-{3-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Description:

The chemical substance known as "5-{3-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione" with the CAS number 6312-53-4 is a complex organic compound characterized by its unique structural features. It contains a thioxodihydropyrimidine core, which is a bicyclic structure that incorporates sulfur and nitrogen atoms, contributing to its potential biological activity. The presence of ethoxy and fluorobenzyl groups suggests that the compound may exhibit interesting pharmacological properties, possibly influencing its solubility and reactivity. The compound's structure includes multiple functional groups, which can participate in various chemical reactions, making it a candidate for further research in medicinal chemistry. Additionally, the presence of the fluorine atom may enhance its lipophilicity and metabolic stability. Overall, this compound's intricate structure and functional diversity position it as a subject of interest for studies related to drug development and synthetic chemistry.

Formula: C₂₂H₂₁FN₂O₄S

InChI: InChI=1/C22H21FN2O4S/c1-4-28-19-12-15(11-17-20(26)24(2)22(30)25(3)21(17)27)7-10-18(19)29-13-14-5-8-16(23)9-6-14/h5-12H,4,13H2,1-3H3

SMILES: CCOc1cc(ccc1OCc1ccc(cc1)F)C=C1C(=O)N(C)C(=S)N(C)C1=O

Synonyms:

• 4,6(1H,5H)-pyrimidinedione, 5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylene]dihydro-1,3-dimethyl-2-thioxo-

5-Hydroxy-2,3-dihydronaphthalene-1,4-dione

CAS: 6312-53-4

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Formula: C₁₀H₈O₃

Purity: Min. 95%

Molecular weight: 176.17 g/mol

Ref: 3D-FH40710