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CAS 365996-87-8

:

1,1-Dimethylethyl 5,7-dihydro-2-(methylsulfonyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate

Description:
1,1-Dimethylethyl 5,7-dihydro-2-(methylsulfonyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate, identified by its CAS number 365996-87-8, is a chemical compound characterized by its complex structure, which includes a pyrrolo[3,4-d]pyrimidine core. This compound features a carboxylate functional group and a methylsulfonyl substituent, contributing to its potential reactivity and biological activity. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, which may influence its solubility and permeability in biological systems. The compound's unique arrangement of heteroatoms and functional groups suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. Its stability, reactivity, and interaction with biological targets would be of interest in research and development contexts. Further studies would be necessary to elucidate its specific properties, including its pharmacokinetics, mechanism of action, and potential therapeutic uses.
Formula:C12H17N3O4S
InChI:InChI=1S/C12H17N3O4S/c1-12(2,3)19-11(16)15-6-8-5-13-10(20(4,17)18)14-9(8)7-15/h5H,6-7H2,1-4H3
InChI key:InChIKey=OWHKZXFLURWFDL-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CC=2C(C1)=CN=C(S(C)(=O)=O)N2
Synonyms:
  • 6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 5,7-dihydro-2-(methylsulfonyl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 5,7-dihydro-2-(methylsulfonyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
  • tert-Butyl 2-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
  • 2-Methanesulfonyl-5,7-dihydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester
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