Sodium 5-ethyl-6-hydroxy-5-(2-methylprop-2-en-1-yl)-2-oxo-2,5-dihydropyrimidin-4-olate

HCID 23716009

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Basic information

CAS: 66968-71-6
Standard SMILES: C=C(C)CC1(CC)C(=O)[N-]C(=O)NC1=O.[Na+]
InChIKey: VYKQNCWETGTTDN-UHFFFAOYSA-M
Molecular formula: C10H13N2NaO3
Average molar mass: 232.21 g/mol
Monoisotopic mass: 232.08238656

Names & identifiers

Preferred name: Sodium 5-ethyl-6-hydroxy-5-(2-methylprop-2-en-1-yl)-2-oxo-2,5-dihydropyrimidin-4-olate
IUPAC: sodium 5-ethyl-5-(2-methylprop-2-enyl)pyrimidin-3-ide-2,4,6-trione

Names & synonyms

66968-71-6DTXSID00985767Sodium 5-ethyl-6-hydroxy-5-(2-methylprop-2-en-1-yl)-2-oxo-2,5-dihydropyrimidin-4-olateRefChem:1098733DTXCID1014129585-Ethyl-5-(2-methylallyl)barbituric acid sodium saltBARBITURIC ACID, 5-ETHYL-5-(2-METHYLALLYL)-, SODIUM SALT

Database identifiers

CAS: 66968-71-6
PubChem CID: 23716009

Properties

Computed structural properties

Topological polar surface area: 64.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 354

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