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CHEBI:42543 - (2S)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol

ChEBI IDCHEBI:42543
ChEBI Name(2S)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
Stars
ASCII Name(2S)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
Last Modified30 January 2008
DownloadsMolfile
FormulaC21H23F2N5O2
Net Charge0
Average Mass415.444
Monoisotopic Mass415.18198
SMILES[H]O[C@]([H])(C([H])([H])Oc1c([H])c([H])c(N([H])c2nc([H])nc(N([H])c3c(F)c([H])c([H])c([H])c3F)c2[H])c([H])c1[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C21H23F2N5O2/c1-28(2)11-15(29)12-30-16-8-6-14(7-9-16)26-19-10-20(25-13-24-19)27-21-17(22)4-3-5-18(21)23/h3-10,13,15,29H,11-12H2,1-2H3,(H2,24,25,26,27)/t15-/m0/s1
InChIKeyZVSBKYYVBCKDBO-HNNXBMFYSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol (CHEBI:42543) is a aminopyrimidine (CHEBI:38338)
(2S)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol (CHEBI:42543) is a organofluorine compound (CHEBI:37143)
Synonym  Source
(2S)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-olPDBeChem
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