Chemical Component Summary

Name1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE
Identifiers1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione
FormulaC14 H16 N2 O4 S
Molecular Weight308.353
TypeNON-POLYMER
Isomeric SMILESCC1=C(N(C(=O)NC1=O)COCCO)Sc2ccccc2
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

Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count38
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB07892 
Name1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE
Groups experimental
Synonyms1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE

Drug Targets

NameTarget SequencePharmacological ActionActions
Gag-Pol polyproteinMGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGL...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 64993
ChEMBL CHEMBL31871
ChEBI CHEBI:43060