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CHEBI:105445 - 7-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester

ChEBI IDCHEBI:105445
ChEBI Name7-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
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DownloadsMolfile
FormulaC17H17F3N4O4
Net Charge0
Average Mass398.341
Monoisotopic Mass398.12019
SMILESCCOC(=O)C1=C(C(F)(F)F)N=C2N=CNN2C1c1cc(OC)ccc1OC
InChIInChI=1S/C17H17F3N4O4/c1-4-28-15(25)12-13(10-7-9(26-2)5-6-11(10)27-3)24-16(21-8-22-24)23-14(12)17(18,19)20/h5-8,13H,4H2,1-3H3,(H,21,22,23)
InChIKeyNLPHTDCJPAPIFT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
7-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester (CHEBI:105445) is a dimethoxybenzene (CHEBI:51681)
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