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CHEBI:45275 - N-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide

ChEBI IDCHEBI:45275
ChEBI NameN-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide
Stars
ASCII NameN-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide
Last Modified17 October 2009
DownloadsMolfile
FormulaC29H29F3N6O
Net Charge0
Average Mass534.586
Monoisotopic Mass534.23549
SMILES[H]c1nc([H])c([H])c(-c2c(N([H])c3c([H])c(C(=O)N([H])c4c([H])c(C(F)(F)F)c([H])c(C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])c4[H])c([H])c([H])c3C([H])([H])[H])nc([H])c([H])c2[H])n1
InChIInChI=1S/C29H29F3N6O/c1-19-8-9-21(16-26(19)37-27-24(7-4-11-34-27)25-10-12-33-18-35-25)28(39)36-23-15-20(6-5-13-38(2)3)14-22(17-23)29(30,31)32/h4,7-12,14-18H,5-6,13H2,1-3H3,(H,34,37)(H,36,39)
InChIKeyOHHGYJBFPVJURR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide (CHEBI:45275) is a benzamides (CHEBI:22702)
N-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide (CHEBI:45275) is a organofluorine compound (CHEBI:37143)
N-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide (CHEBI:45275) is a pyrimidylpyridine (CHEBI:46909)
Synonyms  Source
N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDEPDBeChem
N-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamidePDBeChem
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