Molecule ID: 4909

IUPAC Name: 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione

Description: The molecule is a pyrimidone that is dihydropyrimidine-4,6(1H,5H)-dione substituted by an ethyl and a phenyl group at position 5. It is used as an anticonvulsant for treatment of various types of seizures. It has a role as an environmental contaminant, a xenobiotic and an anticonvulsant.

SMILES: CCC1(c2ccccc2)C(O)=NCN=C1O

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

InChI: InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)

Molecular Properties:
- Polar Surface Area: 58.2 Ų
- LogP: 0.9