EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:109442 - N-[5-[6-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine

ChEBI IDCHEBI:109442
ChEBI NameN-[5-[6-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
Stars
DownloadsMolfile
FormulaC20H23ClN6
Net Charge0
Average Mass382.899
Monoisotopic Mass382.16727
SMILESCN(C)CCCNc1ccc(-c2cc(Nc3cccc(Cl)c3)ncn2)cn1
InChIInChI=1S/C20H23ClN6/c1-27(2)10-4-9-22-19-8-7-15(13-23-19)18-12-20(25-14-24-18)26-17-6-3-5-16(21)11-17/h3,5-8,11-14H,4,9-10H2,1-2H3,(H,22,23)(H,24,25,26)
InChIKeyYDJIFKISSQNAIS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[5-[6-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine (CHEBI:109442) is a organonitrogen heterocyclic compound (CHEBI:38101)
Manual XrefsDatabases
LSM-20840LINCS