EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:42702 - 6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil

ChEBI IDCHEBI:42702
ChEBI Name6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil
Stars
DefinitionA pyrimidone that is uracil which is substituted at positions 1, 5, and 6 by ethoxymethyl, isopropyl, and 3,5-dimethylbenzyl groups, respectively.
Last Modified2 August 2011
DownloadsMolfile
FormulaC19H26N2O3
Net Charge0
Average Mass330.428
Monoisotopic Mass330.19434
SMILESCCOCn1c(Cc2cc(C)cc(C)c2)c(C(C)C)c(=O)nc1=O
InChIInChI=1S/C19H26N2O3/c1-6-24-11-21-16(10-15-8-13(4)7-14(5)9-15)17(12(2)3)18(22)20-19(21)23/h7-9,12H,6,10-11H2,1-5H3,(H,20,22,23)
InChIKeyNVGVZWUORYLPAL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil (CHEBI:42702) has functional parent uracil (CHEBI:17568)
6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil (CHEBI:42702) is a pyrimidone (CHEBI:38337)
IUPAC Name 
6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
Synonyms  Source
6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACILPDBeChem
6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-(1-methylethyl)uracilChEBI
I-EBU-dmChEBI
Manual XrefsDatabases
GCAPDBeChem
Registry NumbersSources
Reaxys:7309067Reaxys