Sodium 5-(but-3-en-2-yl)-5-ethyl-6-hydroxy-2-oxo-2,5-dihydropyrimidin-4-olate
Basic information
- CAS
66968-70-5- Standard SMILES
C=CC(C)C1(CC)C(=O)[N-]C(=O)NC1=O.[Na+]- InChIKey
RCGZERMGPJJBSZ-UHFFFAOYSA-M- Molecular formula
- C10H13N2NaO3
- Average molar mass
- 232.21 g/mol
- Monoisotopic mass
- 232.08238656
Names & identifiers
- Preferred name
- Sodium 5-(but-3-en-2-yl)-5-ethyl-6-hydroxy-2-oxo-2,5-dihydropyrimidin-4-olate
- IUPAC
- sodium 5-but-3-en-2-yl-5-ethylpyrimidin-3-ide-2,4,6-trione
Names & synonyms
66968-70-5DTXSID40985766Sodium 5-(but-3-en-2-yl)-5-ethyl-6-hydroxy-2-oxo-2,5-dihydropyrimidin-4-olateRefChem:1098712DTXCID4014129575-Ethyl-5-(1-methylallyl)barbituric acid sodium saltBARBITURIC ACID, 5-ETHYL-5-(1-METHYLALLYL)-, SODIUM SALT
Database identifiers
- CAS
66968-70-5- PubChem CID
- 23716008
Properties
Computed structural properties
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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