1-(4-fluorophenyl)-5-[(4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(4-fluorophenyl)-5-[(4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-fluorophenyl)-5-[(4-octoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-fluorophenyl)-5-[(4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-fluorophenyl)-5-[(4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-fluorophenyl)-5-(4-octoxybenzylidene)barbituric acid Formula: C25H27FN2O4 MolecularWeight: 438.491283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H27FN2O4/c1-2-3-4-5-6-7-16-32-21-14-8-18(9-15-21)17-22-23(29)27-25(31)28(24(22)30)20-12-10-19(26)11-13-20/h8-15,17H,2-7,16H2,1H3,(H,27,29,31)