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

Systemtic Name: 1-(3,5-dimethylphenyl)-5-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3,5-dimethylphenyl)-5-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3,5-dimethylphenyl)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3,5-dimethylphenyl)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3,5-dimethylphenyl)-5-(4-hydroxy-3-iodo-5-methoxy-benzylidene)barbituric acid Formula: C20H17IN2O5 MolecularWeight: 492.26385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17IN2O5/c1-10-4-11(2)6-13(5-10)23-19(26)14(18(25)22-20(23)27)7-12-8-15(21)17(24)16(9-12)28-3/h4-9,24H,1-3H3,(H,22,25,27)