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CAS 137-76-8

:

4-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl carbonate

Description:
The chemical substance known as "4-[[[4-Amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl carbonate," with the CAS number 137-76-8, is a complex organic compound that features multiple functional groups, including amino, formyl, thio, and carbonate moieties. This compound is characterized by its pyrimidine ring, which contributes to its biological activity, often associated with pharmaceutical applications. The presence of the ethoxycarbonyl group suggests potential for esterification reactions, while the thioether functionality may enhance its reactivity and solubility in organic solvents. The structure indicates that it may exhibit properties such as moderate polarity and potential for hydrogen bonding due to the amino and formyl groups. Additionally, the compound's configuration suggests it may have specific stereochemical properties that could influence its interaction with biological targets. Overall, this substance is likely to be of interest in medicinal chemistry and drug development, particularly in the context of targeting specific biological pathways.
Formula:C18H26N4O6S
InChI:InChI=1S/C18H26N4O6S/c1-5-26-17(24)28-8-7-15(29-18(25)27-6-2)12(3)22(11-23)10-14-9-20-13(4)21-16(14)19/h9,11H,5-8,10H2,1-4H3,(H2,19,20,21)
InChI key:InChIKey=YBROOZNJUDHTGE-UHFFFAOYSA-N
SMILES:C(N(C(=C(SC(OCC)=O)CCOC(OCC)=O)C)C=O)C=1C(N)=NC(C)=NC1
Synonyms:
  • Carbonic acid, thio-, O-ethyl ester, S-ester with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide ethyl carbonate (ester)
  • Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)-, bis(ethyl carbonate) (ester)
  • Carbonic acid, 4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-pentenyl ethyl ester
  • 4-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl carbonate
  • Carbonic acid, 4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl ester
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