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

Systemtic Name: 1-cyclohexyl-5-[(3-ethoxy-5-iodanyl-4-propan-2-yloxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-cyclohexyl-5-[(3-ethoxy-5-iodo-4-isopropoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-(3-ethoxy-5-iodo-4-isopropoxy-benzylidene)barbituric acid Formula: C22H27IN2O5 MolecularWeight: 526.36465

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27IN2O5/c1-4-29-18-12-14(11-17(23)19(18)30-13(2)3)10-16-20(26)24-22(28)25(21(16)27)15-8-6-5-7-9-15/h10-13,15H,4-9H2,1-3H3,(H,24,26,28)