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CHEBI:47634 - [(2-chloro-5-methylphenyl){6-[(4-{[(2R)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrile

ChEBI IDCHEBI:47634
ChEBI Name[(2-chloro-5-methylphenyl){6-[(4-{[(2R)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrile
Stars
ASCII Name[(2-chloro-5-methylphenyl){6-[(4-{[(2R)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrile
Last Modified24 October 2014
DownloadsMolfile
FormulaC24H27ClN6O2
Net Charge0
Average Mass466.973
Monoisotopic Mass466.18840
SMILES[H]O[C@@]([H])(C([H])([H])Oc1c([H])c([H])c(N([H])c2nc([H])nc(N(c3c([H])c(C([H])([H])[H])c([H])c([H])c3Cl)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/C24H27ClN6O2/c1-17-4-9-21(25)22(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-/m1/s1
InChIKeyFIRZNFNHYVXQPP-LJQANCHMSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2-chloro-5-methylphenyl){6-[(4-{[(2R)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrile (CHEBI:47634) is a aminopyrimidine (CHEBI:38338)
[(2-chloro-5-methylphenyl){6-[(4-{[(2R)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrile (CHEBI:47634) is a monochlorobenzenes (CHEBI:83403)
[(2-chloro-5-methylphenyl){6-[(4-{[(2R)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrile (CHEBI:47634) is a nitrile (CHEBI:18379)
Synonym  Source
[(2-chloro-5-methylphenyl){6-[(4-{[(2R)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrilePDBeChem
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