EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:43060 - 1-[(2-hydroxyethoxy)methyl]-6-(phenylsulfanyl)thymine

ChEBI IDCHEBI:43060
ChEBI Name1-[(2-hydroxyethoxy)methyl]-6-(phenylsulfanyl)thymine
Stars
DefinitionA pyrimidone that is thymine which is substituted at positions 1 and 6 by a (2-hydroxyethoxy)methyl group and a phenylsulfanyl group, respectively.
Last Modified2 August 2011
DownloadsMolfile
FormulaC14H16N2O4S
Net Charge0
Average Mass308.359
Monoisotopic Mass308.08308
SMILESCc1c(Sc2ccccc2)n(COCCO)c(=O)nc1=O
InChIInChI=1S/C14H16N2O4S/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19)
InChIKeyHDMHBHNRWDNNCD-UHFFFAOYSA-N
Roles Classification
Biological Roles:
HIV-1 reverse transcriptase inhibitor  An entity which inhibits the activity of HIV-1 reverse transcriptase.
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
Application:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
ChEBI Ontology
Outgoing Relation(s)
1-[(2-hydroxyethoxy)methyl]-6-(phenylsulfanyl)thymine (CHEBI:43060) has functional parent thymine (CHEBI:17821)
1-[(2-hydroxyethoxy)methyl]-6-(phenylsulfanyl)thymine (CHEBI:43060) has role antiviral drug (CHEBI:36044)
1-[(2-hydroxyethoxy)methyl]-6-(phenylsulfanyl)thymine (CHEBI:43060) has role HIV-1 reverse transcriptase inhibitor (CHEBI:53756)
1-[(2-hydroxyethoxy)methyl]-6-(phenylsulfanyl)thymine (CHEBI:43060) is a aryl sulfide (CHEBI:35683)
1-[(2-hydroxyethoxy)methyl]-6-(phenylsulfanyl)thymine (CHEBI:43060) is a primary alcohol (CHEBI:15734)
1-[(2-hydroxyethoxy)methyl]-6-(phenylsulfanyl)thymine (CHEBI:43060) is a pyrimidone (CHEBI:38337)
IUPAC Name 
1-[(2-hydroxyethoxy)methyl]-5-methyl-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione
Synonyms  Source
1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINEPDBeChem
1-[(2-hydroxyethoxy)methyl]-6-phenylthiothymineChEBI
HEPTChEBI
1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymineChEBI
6-HeptChemIDplus
HMPTTChemIDplus
Manual XrefsDatabases
HEFPDBeChem
Registry NumbersSources
Reaxys:4271052Reaxys
CAS:123027-56-5ChemIDplus
Citations