CHEBI:45910 - 6-benzyl-1-(benzyloxymethyl)-5-isopropyluracil

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ChEBI Name 6-benzyl-1-(benzyloxymethyl)-5-isopropyluracil
ChEBI ID CHEBI:45910
Definition A pyrimidone that is uracil which is substituted at positions 1, 5, and 6 by benzyloxymethyl, isopropyl, and benzyl groups, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H24N2O3
Net Charge 0
Average Mass 364.43760
Monoisotopic Mass 364.17869
InChI InChI=1S/C22H24N2O3/c1-16(2)20-19(13-17-9-5-3-6-10-17)24(22(26)23-21(20)25)15-27-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,23,25,26)
InChIKey KSAAUHMSLCPIEX-UHFFFAOYSA-N
SMILES CC(C)c1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
ChEBI Ontology
Outgoing 6-benzyl-1-(benzyloxymethyl)-5-isopropyluracil (CHEBI:45910) has functional parent uracil (CHEBI:17568)
6-benzyl-1-(benzyloxymethyl)-5-isopropyluracil (CHEBI:45910) is a pyrimidone (CHEBI:38337)
IUPAC Name
6-benzyl-1-[(benzyloxy)methyl]-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
Synonyms Sources
5-(1-methylethyl)-1-[(phenylmethoxy)methyl]-6-(phenylmethyl)-2,4(1H,3H)-pyrimidinedione ChEBI
6-benzyl-1-[(benzyloxy)methyl]-5-(1-methylethyl)uracil ChEBI
6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL PDBeChem
TNK-651 ChemIDplus
TNK651 ChemIDplus
Manual Xref Database
TNK PDBeChem
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Registry Numbers Types Sources
175739-42-1 CAS Registry Number ChemIDplus
7496442 Reaxys Registry Number Reaxys
Last Modified
01 August 2011