Molecule ID: 2294

IUPAC Name: 5,5-diethyl-1,3-diazinane-2,4,6-trione

Description: The molecule is a member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by two ethyl groups. Formerly used as a hypnotic (sleeping aid). It has a role as a drug allergen.

SMILES: CCC1(CC)C(O)=NC(=O)N=C1O

SELFIES: [C][C][C][Branch1][Ring1][C][C][C][Branch1][C][O][=N][C][=Branch1][C][=O][N][=C][Ring1][#Branch2][O]

InChI: InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)

Molecular Properties:
- Polar Surface Area: 75.3 Ų
- LogP: 0.6