1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)thymine
Basic information
- CAS
136632-03-6- Standard SMILES
Cc1c([Se]c2ccccc2)n(COCCO)c(=O)[nH]c1=O- InChIKey
QBZVMPXGWMPTKG-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4Se
- Average molar mass
- 355.26 g/mol
- Monoisotopic mass
- 356.02753
Names & identifiers
- Preferred name
- 1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)thymine
- IUPAC
- 1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylselanylpyrimidine-2,4-dione
Names & synonyms
136632-03-61-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)thymineCHEMBL1127321-[(2-Hydroxyethoxy)methyl]-6-(phenylselenenyl)thymineSCHEMBL9598080DTXSID60159861BDBM500080171-(2-hydroxyethoxymethyl)-5-methyl-6-phenylselanyl-pyrimidine-2,4-dione1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-phenylselanyl-1H-pyrimidine-2,4-dione1-[(2-Hydroxyethoxy)methyl]-5-methyl-6-(phenylselanyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
136632-03-6- PubChem CID
- 453570
- DTXSID
DTXSID60159861- ChEMBL
CHEMBL112732- Nikkaji
- J448.804K
Properties
Computed structural properties
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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