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CHEBI:47538 - N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylmalonamide

ChEBI IDCHEBI:47538
ChEBI NameN-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylmalonamide
Stars
ASCII NameN-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylmalonamide
Last Modified20 February 2008
DownloadsMolfile
FormulaC23H31BrN8O3
Net Charge0
Average Mass547.458
Monoisotopic Mass546.17025
SMILES[H]c1nc(N([H])c2c([H])c([H])c([H])c(N([H])C(=O)N3C([H])([H])C([H])([H])C([H])([H])C3([H])[H])c2[H])nc(N([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C(C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])c1Br
InChIInChI=1S/C23H31BrN8O3/c1-23(2,19(25)33)20(34)27-10-6-9-26-18-17(24)14-28-21(31-18)29-15-7-5-8-16(13-15)30-22(35)32-11-3-4-12-32/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H2,25,33)(H,27,34)(H,30,35)(H2,26,28,29,31)
InChIKeyZNSULAZTNWFKEW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylmalonamide (CHEBI:47538) has functional parent malonamide (CHEBI:48537)
N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylmalonamide (CHEBI:47538) is a aminopyrimidine (CHEBI:38338)
N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylmalonamide (CHEBI:47538) is a organobromine compound (CHEBI:37141)
N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylmalonamide (CHEBI:47538) is a pyrrolidinecarboxamide (CHEBI:46770)
N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylmalonamide (CHEBI:47538) is a ureas (CHEBI:47857)
Synonyms  Source
N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN-1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN-4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDEPDBeChem
N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylpropanediamidePDBeChem
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