183

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

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

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1 entries where 183 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	18

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Chemical Component Summary
Name	1-((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
Formula	C₂₁ H₂₂ N₂ O₅
Molecular Weight	382.41
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1C(=CN(C(=O)N1)COCCO)Cc3cccc(OCc2ccccc2)c3
SMILES	CACTVS	3.341	OCCOCN1C=C(Cc2cccc(OCc3ccccc3)c2)C(=O)NC1=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO
Canonical SMILES	CACTVS	3.341	OCCOCN1C=C(Cc2cccc(OCc3ccccc3)c2)C(=O)NC1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO
InChI	InChI	1.03	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)
InChIKey	InChI	1.03	CSXNPJKDZKLDET-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB06873
Name	1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE
Groups	experimental
Synonyms	1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Uridine phosphorylase	MSKSDVFHLGLTKNDLQGATLAIVPGDPDRVEKIAALMDKPVKLASHREF...	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