Molecule ID: 2258306

IUPAC Name: (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

Description: The molecule is a member of the class of barbiturates that is barbituric acid in which one of the nitrogens (position 1) is substituted by a p-tolyl group while the carbon at position 5 is substituted by a (2E)-3-[p-(dimethylamino)phenyl]allylidene group. It has significant osteogenic activity. It has a role as an osteogenesis regulator. It is a member of barbiturates and a substituted aniline.

SMILES: Cc1ccc(N2C(=O)N=C(O)/C(=C/C=C/c3ccc(N(C)C)cc3)C2=O)cc1

SELFIES: [C][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][N][=C][Branch1][C][O][/C][=Branch2][Ring1][Ring1][=C][/C][=C][/C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Ring2][Ring1][Ring2][=O][C][=C][Ring2][Ring1][O]

InChI: InChI=1S/C22H21N3O3/c1-15-7-11-18(12-8-15)25-21(27)19(20(26)23-22(25)28)6-4-5-16-9-13-17(14-10-16)24(2)3/h4-14H,1-3H3,(H,23,26,28)/b5-4+,19-6-

Molecular Properties:
- Polar Surface Area: 69.7 Ų
- LogP: 3.8