181

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

Created:	2004-08-09
Last modified:	2011-06-04

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1 entries where 181 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	12

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Chemical Component Summary
Name	1-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLTHIO)PYRIMIDINE-2,4(1H,3H)-DIONE
Systematic Name (OpenEye OEToolkits)	1-(2-hydroxyethoxymethyl)-5-phenylsulfanyl-pyrimidine-2,4-dione
Formula	C₁₃ H₁₄ N₂ O₄ S
Molecular Weight	294.326
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2C(Sc1ccccc1)=CN(C(=O)N2)COCCO
SMILES	CACTVS	3.341	OCCOCN1C=C(Sc2ccccc2)C(=O)NC1=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)SC2=CN(C(=O)NC2=O)COCCO
Canonical SMILES	CACTVS	3.341	OCCOCN1C=C(Sc2ccccc2)C(=O)NC1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)SC2=CN(C(=O)NC2=O)COCCO
InChI	InChI	1.03	InChI=1S/C13H14N2O4S/c16-6-7-19-9-15-8-11(12(17)14-13(15)18)20-10-4-2-1-3-5-10/h1-5,8,16H,6-7,9H2,(H,14,17,18)
InChIKey	InChI	1.03	YWJXYUXIPSIOGG-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB06872
Name	1-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLTHIO)PYRIMIDINE-2,4(1H,3H)-DIONE
Groups	experimental
Synonyms	1-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLTHIO)PYRIMIDINE-2,4(1H,3H)-DIONE

Drug Targets

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