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CHEBI:47060 - 4-({5-bromo-2-[(4-cyanophenyl)amino]-6-(hydroxymethyl)pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile

ChEBI IDCHEBI:47060
ChEBI Name4-({5-bromo-2-[(4-cyanophenyl)amino]-6-(hydroxymethyl)pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile
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Last Modified17 October 2009
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FormulaC21H16BrN5O2
Net Charge0
Average Mass450.296
Monoisotopic Mass449.04874
SMILES[H]OC([H])([H])c1nc(N([H])c2c([H])c([H])c(C#N)c([H])c2[H])nc(Oc2c(C([H])([H])[H])c([H])c(C#N)c([H])c2C([H])([H])[H])c1Br
InChIInChI=1S/C21H16BrN5O2/c1-12-7-15(10-24)8-13(2)19(12)29-20-18(22)17(11-28)26-21(27-20)25-16-5-3-14(9-23)4-6-16/h3-8,28H,11H2,1-2H3,(H,25,26,27)
InChIKeyLSIZSSASMKSUIU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-({5-bromo-2-[(4-cyanophenyl)amino]-6-(hydroxymethyl)pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile (CHEBI:47060) is a aminopyrimidine (CHEBI:38338)
4-({5-bromo-2-[(4-cyanophenyl)amino]-6-(hydroxymethyl)pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile (CHEBI:47060) is a nitrile (CHEBI:18379)
4-({5-bromo-2-[(4-cyanophenyl)amino]-6-(hydroxymethyl)pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile (CHEBI:47060) is a organobromine compound (CHEBI:37141)
Synonym  Source
4-({5-bromo-2-[(4-cyanophenyl)amino]-6-(hydroxymethyl)pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrilePDBeChem
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