Molecule ID: 3032285

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

Description: The molecule is a member of the class of barbiturates that is 2-thioxodihydropyrimidine-4,6(1H,5H)-dione substituted by a pentan-2-yl and prop-2-en-1-yl group at position 5. It has a role as a sedative. It is a member of barbiturates and an organosulfur compound.

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

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

InChI: InChI=1S/C12H18N2O2S/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: 90.3 Ų
- LogP: 3.2