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CHEBI:115535 - 2-[1-(4-bromophenoxy)butyl]-8,9-dimethoxy-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione

ChEBI IDCHEBI:115535
ChEBI Name2-[1-(4-bromophenoxy)butyl]-8,9-dimethoxy-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione
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FormulaC21H21BrN4O3S
Net Charge0
Average Mass489.395
Monoisotopic Mass488.05177
SMILESCCCC(Oc1ccc(Br)cc1)c1nc2c3cc(OC)c(OC)cc3nc(=S)n2n1
InChIInChI=1S/C21H21BrN4O3S/c1-4-5-16(29-13-8-6-12(22)7-9-13)19-24-20-14-10-17(27-2)18(28-3)11-15(14)23-21(30)26(20)25-19/h6-11,16H,4-5H2,1-3H3,(H,24,25)
InChIKeyQSYPTXDSKPOMTE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[1-(4-bromophenoxy)butyl]-8,9-dimethoxy-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione (CHEBI:115535) is a quinazolines (CHEBI:38530)
Manual XrefsDatabases
LSM-26992LINCS