Basic information
- CAS
136632-06-9- Standard SMILES
O=c1[nH]c(=O)n(COCCO)c([Se]c2ccccc2)c1Br- InChIKey
UINDHULXSACSGV-UHFFFAOYSA-N- Molecular formula
- C13H13BrN2O4Se
- Average molar mass
- 420.13 g/mol
- Monoisotopic mass
- 419.92239
Names & identifiers
- Preferred name
- 1-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracil
- IUPAC
- 5-bromo-1-(2-hydroxyethoxymethyl)-6-phenylselanylpyrimidine-2,4-dione
Names & synonyms
136632-06-91-((2-Hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-bromouracilCHEMBL3340441-[(2-Hydroxyethoxy)methyl]-6-(phenylselenenyl)-5-bromouracilSCHEMBL9596957DTXSID40159864BDBM500080125-bromo-1-(2-hydroxyethoxymethyl)-6-phenylselanyl-pyrimidine-2,4-dione5-Bromo-1-(2-hydroxy-ethoxymethyl)-6-phenylselanyl-1H-pyrimidine-2,4-dione5-Bromo-1-[(2-hydroxyethoxy)methyl]-6-(phenylselanyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
136632-06-9- PubChem CID
- 453573
- DTXSID
DTXSID40159864- ChEMBL
CHEMBL334044- Nikkaji
- J449.570E
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
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…