Molecule ID: 4763

IUPAC Name: 5-ethyl-5-phenyl-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 ethyl and phenyl groups. It has a role as an anticonvulsant, a sedative, an excitatory amino acid antagonist and a drug allergen.

SMILES: CCC1(c2ccccc2)C(O)=NC(=O)N=C1O

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

InChI: InChI=1S/C12H12N2O3/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)

Molecular Properties:
- Polar Surface Area: 75.3 Ų
- LogP: 1.5