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CHEBI:62748 - 6-cyclohexylsulfanyl-1-ethoxymethyl-5-isopropyluracil

ChEBI IDCHEBI:62748
ChEBI Name6-cyclohexylsulfanyl-1-ethoxymethyl-5-isopropyluracil
Stars
DefinitionA pyrimidone that is uracil in which positions 1, 5, and 6 are substituted by ethoxymethyl, isopropyl, and cyclohexylsulfanyl groups, respectively.
Last Modified12 August 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H26N2O3S
Net Charge0
Average Mass326.462
Monoisotopic Mass326.16641
SMILESCCOCn1c(SC2CCCCC2)c(C(C)C)c(=O)nc1=O
InChIInChI=1S/C16H26N2O3S/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h11-12H,4-10H2,1-3H3,(H,17,19,20)
InChIKeyJKXLRLDPSLZEDD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-cyclohexylsulfanyl-1-ethoxymethyl-5-isopropyluracil (CHEBI:62748) has functional parent uracil (CHEBI:17568)
6-cyclohexylsulfanyl-1-ethoxymethyl-5-isopropyluracil (CHEBI:62748) is a aliphatic sulfide (CHEBI:22327)
6-cyclohexylsulfanyl-1-ethoxymethyl-5-isopropyluracil (CHEBI:62748) is a pyrimidone (CHEBI:38337)
IUPAC Name 
6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
Synonyms  Source
6-cyclohexylthio-1-ethoxymethyl-5-isopropyluracilChEBI
6-(cyclohexylthio)-1-(ethoxymethyl)-5-isopropyluracilChEBI
Manual XrefsDatabases
612PDBeChem
Registry NumbersSources
Reaxys:8501573Reaxys
Citations