EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:194228 - 9e

Default Structure
ChEBI IDCHEBI:194228
ChEBI Name9e
Stars
DefinitionDERIVATIVE 5
Submitterfmkhan
DownloadsMolfile
FormulaC24H26N6OS2
Net Charge0
Average Mass478.647
Monoisotopic Mass478.16095
SMILES[H]N(C(=O)c1cccc(CSc2nnc(Cc3csc(N)n3)n2CC)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C24H26N6OS2/c1-4-30-21(12-20-14-32-23(25)27-20)28-29-24(30)33-13-17-6-5-7-18(11-17)22(31)26-19-9-15(2)8-16(3)10-19/h5-11,14H,4,12-13H2,1-3H3,(H2,25,27)(H,26,31)
InChIKeyAVODVTCPCUTBMG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
9e (CHEBI:194228) is a organic molecular entity (CHEBI:50860)