CHEBI:39579 - 5-benzyloxybenzylacyclouridine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-benzyloxybenzylacyclouridine
ChEBI ID CHEBI:39579
Definition A benzyl ether that consists of acyclouridine bearing a 3-(benzyloxy)benzyl substituent at position 5.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C21H22N2O5
Net Charge 0
Average Mass 382.40980
Monoisotopic Mass 382.15287
InChI InChI=1S/C21H22N2O5/c24-9-10-27-15-23-13-18(20(25)22-21(23)26)11-17-7-4-8-19(12-17)28-14-16-5-2-1-3-6-16/h1-8,12-13,24H,9-11,14-15H2,(H,22,25,26)
InChIKey CSXNPJKDZKLDET-UHFFFAOYSA-N
SMILES OCCOCn1cc(Cc2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O
ChEBI Ontology
Outgoing 5-benzyloxybenzylacyclouridine (CHEBI:39579) has functional parent uracil (CHEBI:17568)
5-benzyloxybenzylacyclouridine (CHEBI:39579) is a benzyl ether (CHEBI:59859)
5-benzyloxybenzylacyclouridine (CHEBI:39579) is a hydroxyether (CHEBI:46789)
5-benzyloxybenzylacyclouridine (CHEBI:39579) is a primary alcohol (CHEBI:15734)
IUPAC Name
5-[3-(benzyloxy)benzyl]-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1H,3H)-dione
Synonyms Sources
1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE PDBeChem
5-(benzyloxybenzyl)acyclouridine ChEBI
5-(m-benzyloxybenzyl)-1-(2'-hydroxyethoxymethyl)uracil ChemIDplus
5-Bbau ChemIDplus
BBAU ChEBI
Manual Xref Database
183 PDBeChem
View more database links
Registry Numbers Types Sources
4581951 Reaxys Registry Number Reaxys
82857-75-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
6231986 PubMed citation Europe PMC
6744292 PubMed citation Europe PMC
7104017 PubMed citation Europe PMC
Last Modified
16 April 2012