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

Systemtic Name: 1-(2,5-diethoxyphenyl)-5-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(2,5-diethoxyphenyl)-5-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2,5-diethoxyphenyl)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(2,5-diethoxyphenyl)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(2,5-diethoxyphenyl)-5-(4-hydroxy-3-iodo-5-methoxy-benzylidene)barbituric acid Formula: C22H21IN2O7 MolecularWeight: 552.31581

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)N2C(=O)C(=CC3=CC(=C(C(=C3)I)O)OC)C(=O)NC2=O

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)N2C(=O)C(=CC3=CC(=C(C(=C3)I)O)OC)C(=O)NC2=O

InChI

InChI=1S/C22H21IN2O7/c1-4-31-13-6-7-17(32-5-2)16(11-13)25-21(28)14(20(27)24-22(25)29)8-12-9-15(23)19(26)18(10-12)30-3/h6-11,26H,4-5H2,1-3H3,(H,24,27,29)