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CHEBI:39970 - (2S)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol

Default Structure
ChEBI IDCHEBI:39970
ChEBI Name(2S)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol
Stars
ASCII Name(2S)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H25F4N5O3
Net Charge0
Average Mass483.466
Monoisotopic Mass483.18935
SMILES[H]O[C@]([H])(C([H])([H])Oc1c([H])c([H])c(N([H])C2=C([H])[C@@](O[H])(N([H])c3c([H])c(C(F)(F)F)c([H])c([H])c3F)N=C([H])N2[H])c([H])c1[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C22H25F4N5O3/c1-31(2)11-16(32)12-34-17-6-4-15(5-7-17)29-20-10-21(33,28-13-27-20)30-19-9-14(22(24,25)26)3-8-18(19)23/h3-10,13,16,29-30,32-33H,11-12H2,1-2H3,(H,27,28)/t16-,21-/m0/s1
InChIKeyNCMGCAICQSAQFF-KKSFZXQISA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol (CHEBI:39970) is a aminopyrimidine (CHEBI:38338)
(2S)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol (CHEBI:39970) is a organofluorine compound (CHEBI:37143)
Synonyms  Source
(2S)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-olPDBeChem
(4S)-6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]-4-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}-1,4-dihydropyrimidin-4-olPDBeChem
Manual XrefsDatabases
3FQPDBeChem