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

Systemtic Name: 1-(4-bromophenyl)-5-[(4-butoxy-3-methoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-bromophenyl)-5-[(4-butoxy-3-methoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-bromophenyl)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-bromophenyl)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-bromophenyl)-5-(4-butoxy-3-methoxy-benzylidene)barbituric acid Formula: C22H21BrN2O5 MolecularWeight: 473.31654

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O5/c1-3-4-11-30-18-10-5-14(13-19(18)29-2)12-17-20(26)24-22(28)25(21(17)27)16-8-6-15(23)7-9-16/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,26,28)