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CHEBI:111205 - 1-(4-fluorophenyl)-7-(4-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione

ChEBI IDCHEBI:111205
ChEBI Name1-(4-fluorophenyl)-7-(4-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Stars
Last Modified7 April 2016
DownloadsMolfile
FormulaC21H13F7N4O2
Net Charge0
Average Mass486.347
Monoisotopic Mass486.09267
SMILESCc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(n(-c4ccc(F)cc4)c(=O)nc3=O)N2)cc1
InChIInChI=1S/C21H13F7N4O2/c1-10-2-4-11(5-3-10)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)13-8-6-12(22)7-9-13/h2-9H,1H3,(H,29,31)(H,30,33,34)
InChIKeyUVWNKIZDVOMCKS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-fluorophenyl)-7-(4-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione (CHEBI:111205) is a monofluorobenzenes (CHEBI:83575)
1-(4-fluorophenyl)-7-(4-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione (CHEBI:111205) is a pyrimidopyrimidine (CHEBI:48514)
Manual XrefsDatabases
LSM-22661LINCS