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

Systemtic Name: 1-cyclohexyl-5-[[3-ethoxy-5-iodanyl-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-cyclohexyl-5-[[3-ethoxy-5-iodo-4-(m-tolylmethoxy)phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-[3-ethoxy-5-iodo-4-(3-methylbenzyl)oxy-benzylidene]barbituric acid Formula: C27H29IN2O5 MolecularWeight: 588.43403

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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)OCC4=CC=CC(=C4)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)I)OCC4=CC=CC(=C4)C

InChI

InChI=1S/C27H29IN2O5/c1-3-34-23-15-19(14-22(28)24(23)35-16-18-9-7-8-17(2)12-18)13-21-25(31)29-27(33)30(26(21)32)20-10-5-4-6-11-20/h7-9,12-15,20H,3-6,10-11,16H2,1-2H3,(H,29,31,33)