183

1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE

Created: 2004-08-10
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count0
Bond Count52
Aromatic Bond Count18
2D diagram of 183
Toggle HydrogenToggle Labels

Chemical Component Summary

Name1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE
Systematic Name (OpenEye OEToolkits)1-(2-hydroxyethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-dione
FormulaC21 H22 N2 O5
Molecular Weight382.41
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1C(=CN(C(=O)N1)COCCO)Cc3cccc(OCc2ccccc2)c3
SMILESCACTVS3.341OCCOCN1C=C(Cc2cccc(OCc3ccccc3)c2)C(=O)NC1=O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO
Canonical SMILESCACTVS3.341 OCCOCN1C=C(Cc2cccc(OCc3ccccc3)c2)C(=O)NC1=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO
InChIInChI1.03 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)
InChIKeyInChI1.03 CSXNPJKDZKLDET-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB06873 
Name1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE
Groups experimental
Synonyms1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE

Drug Targets

NameTarget SequencePharmacological ActionActions
Uridine phosphorylaseMSKSDVFHLGLTKNDLQGATLAIVPGDPDRVEKIAALMDKPVKLASHREF...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 134111
ChEMBL CHEMBL277577
ChEBI CHEBI:39579