1-(4-bromophenyl)-5-[(4-butoxy-3-ethoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(4-bromophenyl)-5-[(4-butoxy-3-ethoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-bromophenyl)-5-[(4-butoxy-3-ethoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-bromophenyl)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-bromophenyl)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-bromophenyl)-5-(4-butoxy-3-ethoxy-benzylidene)barbituric acid Formula: C23H23BrN2O5 MolecularWeight: 487.34312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)OCC

InChI

InChI=1S/C23H23BrN2O5/c1-3-5-12-31-19-11-6-15(14-20(19)30-4-2)13-18-21(27)25-23(29)26(22(18)28)17-9-7-16(24)8-10-17/h6-11,13-14H,3-5,12H2,1-2H3,(H,25,27,29)