CHEBI:113148 - 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide
ChEBI ID CHEBI:113148
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H25BrN4O4S2
Net Charge 0
Average Mass 553.495
Monoisotopic Mass 552.05006
InChI InChI=1S/C22H25BrN4O4S2/c23-16-7-10-19-18(14-16)21(29)27(22(32)26-19)13-3-1-2-4-20(28)25-12-11-15-5-8-17(9-6-15)33(24,30)31/h5-10,14H,1-4,11-13H2,(H,25,28)(H,26,32)(H2,24,30,31)
InChIKey SUMKOABHQLFZSE-UHFFFAOYSA-N
SMILES C1=CC(=CC=C1CCNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)S(=O)(=O)N
ChEBI Ontology
Outgoing 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide (CHEBI:113148) is a quinazolines (CHEBI:38530)
Manual Xref Database
LSM-24559 LINCS
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