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CHEBI:47282 - (2R)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol

ChEBI IDCHEBI:47282
ChEBI Name(2R)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol
Stars
ASCII Name(2R)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol
Last Modified30 January 2008
DownloadsMolfile
FormulaC21H24BrN5O2
Net Charge0
Average Mass458.360
Monoisotopic Mass457.11134
SMILES[H]O[C@@]([H])(C([H])([H])Oc1c([H])c([H])c(N([H])c2nc([H])c(Br)c(N([H])c3c([H])c([H])c([H])c([H])c3[H])n2)c([H])c1[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C21H24BrN5O2/c1-27(2)13-17(28)14-29-18-10-8-16(9-11-18)25-21-23-12-19(22)20(26-21)24-15-6-4-3-5-7-15/h3-12,17,28H,13-14H2,1-2H3,(H2,23,24,25,26)/t17-/m1/s1
InChIKeyMEIJADBULOETOV-QGZVFWFLSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol (CHEBI:47282) is a aminopyrimidine (CHEBI:38338)
(2R)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol (CHEBI:47282) is a organobromine compound (CHEBI:37141)
Synonyms  Source
(2R)-1-(4-{[5-bromo-4-(phenylamino)pyrimidin-2-yl]amino}phenoxy)-3-(dimethylamino)propan-2-olPDBeChem
(2R)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-olPDBeChem
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