EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:91357 - N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide

ChEBI IDCHEBI:91357
ChEBI NameN-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide
Stars
DownloadsMolfile
FormulaC20H23BrN8O
Net Charge0
Average Mass471.363
Monoisotopic Mass470.11782
SMILESO=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cncn3)n2)c1)N1CCCC1
InChIInChI=1S/C20H23BrN8O/c21-17-12-24-19(28-18(17)23-7-6-16-11-22-13-25-16)26-14-4-3-5-15(10-14)27-20(30)29-8-1-2-9-29/h3-5,10-13H,1-2,6-9H2,(H,22,25)(H,27,30)(H2,23,24,26,28)
InChIKeyDMMILYKXNCVKOJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide (CHEBI:91357) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-1055LINCS