1-cyclohexyl-5-[[1-(4-iodanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-cyclohexyl-5-[[1-(4-iodanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-cyclohexyl-5-[[1-(4-iodo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[[1-(4-iodo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-[[1-(4-iodo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]barbituric acid Formula: C24H26IN3O3 MolecularWeight: 531.38601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)I)C)C)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)I)C)C)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C24H26IN3O3/c1-14-11-19(9-10-21(14)25)27-15(2)12-17(16(27)3)13-20-22(29)26-24(31)28(23(20)30)18-7-5-4-6-8-18/h9-13,18H,4-8H2,1-3H3,(H,26,29,31)