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

Systemtic Name: 1-(3,4-dimethylphenyl)-5-[(3-iodanyl-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3,4-dimethylphenyl)-5-[(4-hydroxy-3-iodo-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3,4-dimethylphenyl)-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3,4-dimethylphenyl)-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3,4-dimethylphenyl)-5-(4-hydroxy-3-iodo-benzylidene)barbituric acid Formula: C19H15IN2O4 MolecularWeight: 462.23787

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)O)I)C(=O)NC2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)O)I)C(=O)NC2=O)C

InChI

InChI=1S/C19H15IN2O4/c1-10-3-5-13(7-11(10)2)22-18(25)14(17(24)21-19(22)26)8-12-4-6-16(23)15(20)9-12/h3-9,23H,1-2H3,(H,21,24,26)