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CHEBI:131351 - CGS 15943

Default Structure
ChEBI IDCHEBI:131351
ChEBI NameCGS 15943
Stars
DefinitionA member of the class of triazoloquinazolines that is [1,2,4]triazolo[1,5-c]quinazoline substited at positions 2, 5 and 9 by furan-2-yl, amino and chloro groups respectively. A potent antagonist at adenosine A1 and adenosine A2A receptors.
Last Modified29 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC13H8ClN5O
Net Charge0
Average Mass285.694
Monoisotopic Mass285.04174
SMILESNc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIInChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
InChIKeyMSJODEOZODDVGW-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
adenosine A2A receptor antagonist  An antagonist at the A2A receptor.
adenosine A1 receptor antagonist  An antagonist at the A1 receptor.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
central nervous system stimulant  Any drug that enhances the activity of the central nervous system.
ChEBI Ontology
Outgoing Relation(s)
CGS 15943 (CHEBI:131351) has role adenosine A1 receptor antagonist (CHEBI:63957)
CGS 15943 (CHEBI:131351) has role adenosine A2A receptor antagonist (CHEBI:53121)
CGS 15943 (CHEBI:131351) has role antineoplastic agent (CHEBI:35610)
CGS 15943 (CHEBI:131351) has role central nervous system stimulant (CHEBI:35337)
CGS 15943 (CHEBI:131351) is a aromatic amine (CHEBI:33860)
CGS 15943 (CHEBI:131351) is a biaryl (CHEBI:64459)
CGS 15943 (CHEBI:131351) is a furans (CHEBI:24129)
CGS 15943 (CHEBI:131351) is a organochlorine compound (CHEBI:36683)
CGS 15943 (CHEBI:131351) is a primary amino compound (CHEBI:50994)
CGS 15943 (CHEBI:131351) is a triazoloquinazoline (CHEBI:131355)
IUPAC Name 
9-chloro-2-(furan-2-yl)[1,2,4]triazolo[1,5-c]quinazolin-5-amine
Synonyms  Source
9-Chloro-2-(2-furyl)-(1,2,4)triazolo(1,5-c)quinazolin-5-imineChemIDplus
CGS-15943ChEBI
CGS15943ChEBI
CGS 15943AChemIDplus
Manual XrefsDatabases
CGS-15943Wikipedia
Registry NumbersSources
Reaxys:4237267Reaxys
CAS:104615-18-1ChemIDplus
Citations