EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:82169 - Flubenzimine

ChEBI IDCHEBI:82169
ChEBI NameFlubenzimine
Stars
DownloadsMolfile
FormulaC17H10F6N4S
Net Charge0
Average Mass416.350
Monoisotopic Mass416.05304
SMILESFC(F)(F)/N=C1\S/C(=N\C(F)(F)F)N(c2ccccc2)\C1=N\c1ccccc1
InChIInChI=1S/C17H10F6N4S/c18-16(19,20)25-14-13(24-11-7-3-1-4-8-11)27(12-9-5-2-6-10-12)15(28-14)26-17(21,22)23/h1-10H/b24-13+,25-14-,26-15-
InChIKeyKVKHBPGBGOVMBN-PWLVHAGJSA-N
ChEBI Ontology
Outgoing Relation(s)
Flubenzimine (CHEBI:82169) is a benzenes (CHEBI:22712)
Manual XrefsDatabases
C19041KEGG COMPOUND
Registry NumbersSources
CAS:37893-02-0KEGG COMPOUND