EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:49903 - 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile

Default Structure
ChEBI IDCHEBI:49903
ChEBI Name4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC22H18N6
Net Charge0
Average Mass366.428
Monoisotopic Mass366.15929
SMILESCc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+
InChIKeyYIBOMRUWOWDFLG-ONEGZZNKSA-N
ChEBI Ontology
Outgoing Relation(s)
4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile (CHEBI:49903) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrilePDBeChem
edurantDrugCentral
rilpivirine HClDrugCentral
rilpivirine hydrochlorideDrugCentral
Manual XrefsDatabases
4174DrugCentral
T27PDBeChem
Registry NumbersSources
CAS:500287-72-9DrugCentral