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CHEBI:47557 - ((2-bromo-4-methylphenyl){6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrile

ChEBI IDCHEBI:47557
ChEBI Name((2-bromo-4-methylphenyl){6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrile
Stars
ASCII Name((2-bromo-4-methylphenyl){6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrile
Last Modified30 January 2008
DownloadsMolfile
FormulaC24H27BrN6O2
Net Charge0
Average Mass511.424
Monoisotopic Mass510.13789
SMILES[H]O[C@]([H])(C([H])([H])Oc1c([H])c([H])c(N([H])c2nc([H])nc(N(c3c([H])c([H])c(C([H])([H])[H])c([H])c3Br)C([H])([H])C#N)c2[H])c([H])c1[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C24H27BrN6O2/c1-17-4-9-22(21(25)12-17)31(11-10-26)24-13-23(27-16-28-24)29-18-5-7-20(8-6-18)33-15-19(32)14-30(2)3/h4-9,12-13,16,19,32H,11,14-15H2,1-3H3,(H,27,28,29)/t19-/m0/s1
InChIKeyUUISESFNPSRBFN-IBGZPJMESA-N
ChEBI Ontology
Outgoing Relation(s)
((2-bromo-4-methylphenyl){6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrile (CHEBI:47557) is a ((2-bromo-4-methylphenyl){6-[(4-{[3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrile (CHEBI:48394)
Synonyms  Source
((2-bromo-4-methylphenyl){6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrilePDBeChem
[(2-bromo-4-methylphenyl){6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrilePDBeChem
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