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

Systemtic Name: 5-[(5-bromanyl-2-butoxy-phenyl)methylidene]-1-(3-chloranyl-4-methyl-phenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(5-bromo-2-butoxy-phenyl)methylene]-1-(3-chloro-4-methyl-phenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(5-bromo-2-butoxyphenyl)methylidene]-1-(3-chloro-4-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(5-bromo-2-butoxyphenyl)methylidene]-1-(3-chloro-4-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(5-bromo-2-butoxy-benzylidene)-1-(3-chloro-4-methyl-phenyl)barbituric acid Formula: C22H20BrClN2O4 MolecularWeight: 491.7622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrClN2O4/c1-3-4-9-30-19-8-6-15(23)10-14(19)11-17-20(27)25-22(29)26(21(17)28)16-7-5-13(2)18(24)12-16/h5-8,10-12H,3-4,9H2,1-2H3,(H,25,27,29)