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CHEBI:47406 - (2S)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol

ChEBI IDCHEBI:47406
ChEBI Name(2S)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
Stars
ASCII Name(2S)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
Last Modified24 October 2014
DownloadsMolfile
FormulaC21H23Cl2N5O2
Net Charge0
Average Mass448.354
Monoisotopic Mass447.12288
SMILES[H]O[C@]([H])(C([H])([H])Oc1c([H])c([H])c(N([H])c2nc([H])c([H])c(N([H])c3c([H])c(Cl)c([H])c([H])c3Cl)n2)c([H])c1[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C21H23Cl2N5O2/c1-28(2)12-16(29)13-30-17-6-4-15(5-7-17)25-21-24-10-9-20(27-21)26-19-11-14(22)3-8-18(19)23/h3-11,16,29H,12-13H2,1-2H3,(H2,24,25,26,27)/t16-/m0/s1
InChIKeyGNLAGGCSJGJECE-INIZCTEOSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol (CHEBI:47406) is a aminopyrimidine (CHEBI:38338)
(2S)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol (CHEBI:47406) is a dichlorobenzene (CHEBI:23697)
Synonym  Source
(2S)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-olPDBeChem
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