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CHEBI:113219 - 2,4-dichloro-N-[2,4,6-trioxo-1-(phenylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide

ChEBI IDCHEBI:113219
ChEBI Name2,4-dichloro-N-[2,4,6-trioxo-1-(phenylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Stars
DownloadsMolfile
FormulaC21H13Cl2F3N4O4
Net Charge0
Average Mass513.259
Monoisotopic Mass512.02659
SMILESO=C(NC1(C(F)(F)F)C(=O)Nc2c1c(=O)nc(=O)n2Cc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H13Cl2F3N4O4/c22-11-6-7-12(13(23)8-11)16(31)29-20(21(24,25)26)14-15(27-18(20)33)30(19(34)28-17(14)32)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,27,33)(H,29,31)(H,28,32,34)
InChIKeyOHLMTMVIJJPTHW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2,4-dichloro-N-[2,4,6-trioxo-1-(phenylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide (CHEBI:113219) is a N-acyl-amino acid (CHEBI:51569)
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