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CHEBI:191043 - 5-pyrimidinecarboxamide, 2-[(2,4-dichlorophenyl)amino]-n-[(tetrahydro-2h-pyran-4-yl)methyl]-4-(trifluoromethyl)-

ChEBI IDCHEBI:191043
ChEBI Name5-pyrimidinecarboxamide, 2-[(2,4-dichlorophenyl)amino]-n-[(tetrahydro-2h-pyran-4-yl)methyl]-4-(trifluoromethyl)-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H17Cl2F3N4O2
Net Charge0
Average Mass449.260
Monoisotopic Mass448.06807
SMILESO=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F
InChIInChI=1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)
InChIKeyTWQYWUXBZHPIIV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
5-pyrimidinecarboxamide, 2-[(2,4-dichlorophenyl)amino]-n-[(tetrahydro-2h-pyran-4-yl)methyl]-4-(trifluoromethyl)- (CHEBI:191043) is a dichlorobenzene (CHEBI:23697)
IUPAC Name 
2-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)-4-(triluoromethyl)pyrimidine-5-carboxamide
Manual XrefsDatabases
8428629ChemSpider
LSM-45586LINCS
DB11903DrugBank
Registry NumbersSources
CAS:666260-75-9ChemIDplus