Molecule ID: 23674889

IUPAC Name: sodium;5-ethyl-4,6-dioxo-5-phenyl-1H-pyrimidin-2-olate

Description: The molecule is a barbiturate that is the sodium salt of phenobarbital (barbituric acid substituted at C-5 by ethyl and phenyl groups). It is an organic sodium salt and a member of barbiturates. It contains a phenobarbital.

SMILES: CCC1(c2ccccc2)C([O-])=NC(=O)N=C1O.[Na+]

SELFIES: [C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O-1][=N][C][=Branch1][C][=O][N][=C][Ring1][=C][O].[Na+1]

InChI: InChI=1S/C12H12N2O3.Na/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h3-7H,2H2,1H3,(H2,13,14,15,16,17);/q;+1/p-1

Molecular Properties:
- Polar Surface Area: 81.6 Ų
- LogP: nan