(5Z)-1-cyclohexyl-5-[(3,4-diethoxy-5-iodanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: (5Z)-1-cyclohexyl-5-[(3,4-diethoxy-5-iodanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: (5Z)-1-cyclohexyl-5-[(3,4-diethoxy-5-iodo-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: (5Z)-1-cyclohexyl-5-[(3,4-diethoxy-5-iodophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: (5Z)-1-cyclohexyl-5-[(3,4-diethoxy-5-iodophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: (5Z)-1-cyclohexyl-5-(3,4-diethoxy-5-iodo-benzylidene)barbituric acid Formula: C21H25IN2O5 MolecularWeight: 512.33807

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)I)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=O)N(C2=O)C3CCCCC3)I)OCC

InChI

InChI=1S/C21H25IN2O5/c1-3-28-17-12-13(11-16(22)18(17)29-4-2)10-15-19(25)23-21(27)24(20(15)26)14-8-6-5-7-9-14/h10-12,14H,3-9H2,1-2H3,(H,23,25,27)/b15-10-