6-((3-Carbamoylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
Basic information
- CAS
137897-78-0- Standard SMILES
Cc1c(Sc2cccc(C(N)=O)c2)n(COCCO)c(=O)[nH]c1=O- InChIKey
BSKLJDBBPLYDEP-UHFFFAOYSA-N- Molecular formula
- C15H17N3O5S
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.08889182
Names & identifiers
- Preferred name
- 6-((3-Carbamoylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
- IUPAC
- 3-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-4-yl]sulfanylbenzamide
Names & synonyms
137897-78-03'-NH2COHEPT6-((3-Carbamoylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine3-((3-((2-Hydroxyethoxy)methyl)-5-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)thio)benzamide6-[(3-Carbamoylphenyl)thio]-1-[(2-hydroxyethoxy)methyl]thymineCHEMBL330759DTXSID401603743-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxo-pyrimidin-4-yl]sulfanylbenzamide3-({3-[(2-Hydroxyethoxy)methyl]-5-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}sulfanyl)benzamide
Database identifiers
- CAS
137897-78-0- PubChem CID
- 453722
- DTXSID
DTXSID40160374- ChEMBL
CHEMBL330759
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…