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

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ChEBI Name 6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil
ChEBI ID CHEBI:42702
Definition A pyrimidone that is uracil which is substituted at positions 1, 5, and 6 by ethoxymethyl, isopropyl, and 3,5-dimethylbenzyl groups, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H26N2O3
Net Charge 0
Average Mass 330.42130
Monoisotopic Mass 330.19434
InChI InChI=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)
InChIKey NVGVZWUORYLPAL-UHFFFAOYSA-N
SMILES CCOCn1c(Cc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O
ChEBI Ontology
Outgoing 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 Sources
6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL PDBeChem
6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-(1-methylethyl)uracil ChEBI
I-EBU-dm ChEBI
Manual Xref Database
GCA PDBeChem
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Registry Number Type Source
7309067 Reaxys Registry Number Reaxys
Last Modified
02 August 2011