Sodium 5-[(butylsulfanyl)methyl]-6-hydroxy-5-methyl-2-oxo-2,5-dihydropyrimidin-4-olate
Basic information
- CAS
67050-76-4- Standard SMILES
CCCCSCC1(C)C(=O)NC(=O)N=C1[O-].[Na+]- InChIKey
UYJVOZRFXSYETE-UHFFFAOYSA-M- Molecular formula
- C10H15N2NaO3S
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.0701078
Overview
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Names & identifiers
- Preferred name
- Sodium 5-[(butylsulfanyl)methyl]-6-hydroxy-5-methyl-2-oxo-2,5-dihydropyrimidin-4-olate
- IUPAC
- sodium 5-(butylsulfanylmethyl)-5-methyl-2,6-dioxopyrimidin-4-olate
Names & synonyms
DTXSID00986057Sodium 5-[(butylsulfanyl)methyl]-6-hydroxy-5-methyl-2-oxo-2,5-dihydropyrimidin-4-olate
Database identifiers
- CAS
67050-76-4- PubChem CID
- 101935331
- DTXSID
DTXSID00986057- Nikkaji
- J93.592A
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
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Compound notes
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