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CHEBI:177603 - Icotidine

ChEBI IDCHEBI:177603
ChEBI NameIcotidine
Stars
Last Modified23 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N5O2
Net Charge0
Average Mass379.464
Monoisotopic Mass379.20083
SMILESCOc1cccnc1CCCCNc1ncc(Cc2ccc(C)nc2)c(=O)n1
InChIInChI=1S/C21H25N5O2/c1-15-8-9-16(13-24-15)12-17-14-25-21(26-20(17)27)23-10-4-3-6-18-19(28-2)7-5-11-22-18/h5,7-9,11,13-14H,3-4,6,10,12H2,1-2H3,(H2,23,25,26,27)
InChIKeyGJCSPRIRQYWXRW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Icotidine (CHEBI:177603) is a pyrimidone (CHEBI:38337)
IUPAC Name 
2-[4-(3-methoxypyridin-2-yl)butylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one
Manual XrefsDatabases
D04494KEGG DRUG
65090ChemSpider
Registry NumbersSources
CAS:71351-79-6ChemIDplus