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

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-bromo-3-methyl-phenyl)-5-[(3-ethoxy-4-hydroxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-bromo-3-methylphenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-bromo-3-methylphenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-bromo-3-methyl-phenyl)-5-(3-ethoxy-4-hydroxy-benzylidene)barbituric acid Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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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(=C(C=C3)Br)C)O

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O5/c1-3-28-17-10-12(4-7-16(17)24)9-14-18(25)22-20(27)23(19(14)26)13-5-6-15(21)11(2)8-13/h4-10,24H,3H2,1-2H3,(H,22,25,27)