Sodium 5-ethyl-6-hydroxy-2-oxo-5-(2-phenoxyethyl)-2,5-dihydropyrimidin-4-olate
Basic information
- CAS
67050-88-8- Standard SMILES
CCC1(CCOc2ccccc2)C(=O)[N-]C(=O)NC1=O.[Na+]- InChIKey
HMSZLYBFOMXZKM-UHFFFAOYSA-M- Molecular formula
- C14H15N2NaO4
- Average molar mass
- 298.27 g/mol
- Monoisotopic mass
- 298.09295125
Names & identifiers
- Preferred name
- Sodium 5-ethyl-6-hydroxy-2-oxo-5-(2-phenoxyethyl)-2,5-dihydropyrimidin-4-olate
- IUPAC
- sodium 5-ethyl-5-(2-phenoxyethyl)pyrimidin-3-ide-2,4,6-trione
Names & synonyms
67050-88-8DTXSID50986062Sodium 5-ethyl-6-hydroxy-2-oxo-5-(2-phenoxyethyl)-2,5-dihydropyrimidin-4-olateRefChem:1098725DTXCID4014132505-Ethyl-5-(2-phenoxyethyl)barbituric acid sodium saltBARBITURIC ACID, 5-ETHYL-5-(2-PHENOXYETHYL)-, SODIUM SALT
Database identifiers
- CAS
67050-88-8- PubChem CID
- 23716043
Properties
Computed structural properties
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 410
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Compound notes
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