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CHEBI:167720 - 3-[(4-methylpyrimidin-2-yl)thio]-1-phenylprop-2-en-1-one

Default Structure
ChEBI IDCHEBI:167720
ChEBI Name3-[(4-methylpyrimidin-2-yl)thio]-1-phenylprop-2-en-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H12N2OS
Net Charge0
Average Mass256.330
Monoisotopic Mass256.06703
SMILESCc1ccnc(SC=CC(=O)c2ccccc2)n1
InChIInChI=1S/C14H12N2OS/c1-11-7-9-15-14(16-11)18-10-8-13(17)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyZMSFZCBOUJTEJG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
3-[(4-methylpyrimidin-2-yl)thio]-1-phenylprop-2-en-1-one (CHEBI:167720) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
3-(4-methylpyrimidin-2-yl)sulanyl-1-phenylprop-2-en-1-one
Manual XrefsDatabases
2103914ChemSpider