1-cyclohexyl-5-[[4-[(4-iodophenyl)methoxy]-3-methoxy-5-prop-2-enyl-phenyl]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-cyclohexyl-5-[[4-[(4-iodophenyl)methoxy]-3-methoxy-5-prop-2-enyl-phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[3-allyl-4-[(4-iodophenyl)methoxy]-5-methoxy-phenyl]methylene]-1-cyclohexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[[4-[(4-iodophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[[4-[(4-iodophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[3-allyl-4-(4-iodobenzyl)oxy-5-methoxy-benzylidene]-1-cyclohexyl-barbituric acid Formula: C28H29IN2O5 MolecularWeight: 600.44473

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=C(C=C2)I)CC=C)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=C(C=C2)I)CC=C)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C28H29IN2O5/c1-3-7-20-14-19(16-24(35-2)25(20)36-17-18-10-12-21(29)13-11-18)15-23-26(32)30-28(34)31(27(23)33)22-8-5-4-6-9-22/h3,10-16,22H,1,4-9,17H2,2H3,(H,30,32,34)