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

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ChEBI Name	1-[(2-hydroxyethoxy)methyl]-6-(phenylsulfanyl)thymine

ChEBI ID	CHEBI:43060

Definition	A pyrimidone that is thymine which is substituted at positions 1 and 6 by a (2-hydroxyethoxy)methyl group and a phenylsulfanyl group, respectively.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C14H16N2O4S

Net Charge

Average Mass

308.35300

Monoisotopic Mass

308.08308

InChI

InChI=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)

InChIKey

HDMHBHNRWDNNCD-UHFFFAOYSA-N

SMILES

Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O

Roles Classification
Biological Role(s):	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(s):	antiviral drug A substance used in the prophylaxis or therapy of virus diseases.

ChEBI Ontology
Outgoing	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	Sources
1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE	PDBeChem
1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine	ChEBI
1-[(2-hydroxyethoxy)methyl]-6-phenylthiothymine	ChEBI
6-Hept	ChemIDplus
HEPT	ChEBI
HMPTT	ChemIDplus

Last Modified

02 August 2011