Molecule ID: 5193

IUPAC Name: 5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

Description: The molecule is a member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by prop-2-en-1-yl and pentan-2-yl groups. It has a role as an anaesthesia adjuvant, a GABA modulator and a sedative. It derives from a barbituric acid. It is a conjugate acid of a secobarbital (1-).

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

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

InChI: InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)

Molecular Properties:
- Polar Surface Area: 75.3 Ų
- LogP: 2.0