5-[(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-bromo-5-ethoxy-4-hydroxy-phenyl)methylene]-1-(3,5-dimethylphenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-bromo-5-ethoxy-4-hydroxy-benzylidene)-1-(3,5-dimethylphenyl)barbituric acid Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC(=C3)C)C)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC(=C3)C)C)Br)O

InChI

InChI=1S/C21H19BrN2O5/c1-4-29-17-10-13(9-16(22)18(17)25)8-15-19(26)23-21(28)24(20(15)27)14-6-11(2)5-12(3)7-14/h5-10,25H,4H2,1-3H3,(H,23,26,28)