Sodium 5-(but-3-en-2-yl)-6-hydroxy-5-(3-methylbutyl)-2-oxo-2,5-dihydropyrimidin-4-olate

HCID 23716059

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Basic information

CAS: 67051-32-5
Standard SMILES: C=CC(C)C1(CCC(C)C)C(=O)[N-]C(=O)NC1=O.[Na+]
InChIKey: CCYZXYHCAVMZJE-UHFFFAOYSA-M
Molecular formula: C13H19N2NaO3
Average molar mass: 274.29 g/mol
Monoisotopic mass: 274.12933675

Names & identifiers

Preferred name: Sodium 5-(but-3-en-2-yl)-6-hydroxy-5-(3-methylbutyl)-2-oxo-2,5-dihydropyrimidin-4-olate
IUPAC: sodium 5-but-3-en-2-yl-5-(3-methylbutyl)pyrimidin-3-ide-2,4,6-trione

Names & synonyms

67051-32-5DTXSID30986080Sodium 5-(but-3-en-2-yl)-6-hydroxy-5-(3-methylbutyl)-2-oxo-2,5-dihydropyrimidin-4-olateRefChem:1098716DTXCID6014132685-Isopentyl-5-(1-methylallyl)barbituric acid sodium saltBARBITURIC ACID, 5-ISOPENTYL-5-(1-METHYLALLYL)-, SODIUM SALT

Database identifiers

CAS: 67051-32-5
PubChem CID: 23716059

Properties

Computed structural properties

Topological polar surface area: 64.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 395

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