1-cyclohexyl-5-[(3-ethoxy-5-iodanyl-4-prop-2-ynoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-cyclohexyl-5-[(3-ethoxy-5-iodanyl-4-prop-2-ynoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-cyclohexyl-5-[(3-ethoxy-5-iodo-4-prop-2-ynoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-(3-ethoxy-5-iodo-4-propargyloxy-benzylidene)barbituric acid Formula: C22H23IN2O5 MolecularWeight: 522.33289

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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#C

Isomeric SMILES

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

InChI

InChI=1S/C22H23IN2O5/c1-3-10-30-19-17(23)12-14(13-18(19)29-4-2)11-16-20(26)24-22(28)25(21(16)27)15-8-6-5-7-9-15/h1,11-13,15H,4-10H2,2H3,(H,24,26,28)