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

Systemtic Name: 1-(3,4-dimethylphenyl)-5-[(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3,4-dimethylphenyl)-5-[(3-ethoxy-4-hydroxy-5-iodo-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3,4-dimethylphenyl)-5-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3,4-dimethylphenyl)-5-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3,4-dimethylphenyl)-5-(3-ethoxy-4-hydroxy-5-iodo-benzylidene)barbituric acid Formula: C21H19IN2O5 MolecularWeight: 506.29043

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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)C)C)I)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19IN2O5/c1-4-29-17-10-13(9-16(22)18(17)25)8-15-19(26)23-21(28)24(20(15)27)14-6-5-11(2)12(3)7-14/h5-10,25H,4H2,1-3H3,(H,23,26,28)