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CHEBI:194289 - ethyl 4-amino-2-[(3-nitro-2-pyridyl)thio]pyrimidine-5-carboxylate

ChEBI IDCHEBI:194289
ChEBI Nameethyl 4-amino-2-[(3-nitro-2-pyridyl)thio]pyrimidine-5-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H11N5O4S
Net Charge0
Average Mass321.318
Monoisotopic Mass321.05317
SMILESCCOC(=O)c1cnc(Sc2ncccc2[N+](=O)[O-])nc1N
InChIInChI=1S/C12H11N5O4S/c1-2-21-11(18)7-6-15-12(16-9(7)13)22-10-8(17(19)20)4-3-5-14-10/h3-6H,2H2,1H3,(H2,13,15,16)
InChIKeyXLYMFRHIKHWSRY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) peripheral blood mononuclear cell (BTO:0001025) MetaboLights (MTBLS6661)
ChEBI Ontology
Outgoing Relation(s)
ethyl 4-amino-2-[(3-nitro-2-pyridyl)thio]pyrimidine-5-carboxylate (CHEBI:194289) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
ethyl 4-amino-2-(3-nitropyridin-2-yl)sulanylpyrimidine-5-carboxylate
Manual XrefsDatabases
292596ChemSpider