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CHEBI:32509 - pirinixic acid

ChEBI IDCHEBI:32509
ChEBI Namepirinixic acid
Stars
Last Modified24 February 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC14H14ClN3O2S
Net Charge0
Average Mass323.805
Monoisotopic Mass323.04953
SMILESCc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C
InChIInChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeySZRPDCCEHVWOJX-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
pirinixic acid (CHEBI:32509) has functional parent acetic acid (CHEBI:15366)
pirinixic acid (CHEBI:32509) is a aryl sulfide (CHEBI:35683)
pirinixic acid (CHEBI:32509) is a organochlorine compound (CHEBI:36683)
pirinixic acid (CHEBI:32509) is a pyrimidines (CHEBI:39447)
IUPAC Name 
({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid
Synonyms  Source
(4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acidChemIDplus
WY-14,643ChemIDplus
((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acidChemIDplus
Manual XrefsDatabases
Pirinixic_AcidWikipedia
C15617KEGG COMPOUND
LSM-2015LINCS
Registry NumbersSources
CAS:50892-23-4ChemIDplus
CAS:50892-23-4KEGG COMPOUND