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

Systemtic Name: 5-[(3-iodanyl-4-oxidanyl-phenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-hydroxy-3-iodo-phenyl)methylene]-1-(m-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(4-hydroxy-3-iodophenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(4-hydroxy-3-iodophenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-hydroxy-3-iodo-benzylidene)-1-(m-tolyl)barbituric acid Formula: C18H13IN2O4 MolecularWeight: 448.21129

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13IN2O4/c1-10-3-2-4-12(7-10)21-17(24)13(16(23)20-18(21)25)8-11-5-6-15(22)14(19)9-11/h2-9,22H,1H3,(H,20,23,25)