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

Systemtic Name: (5Z)-5-[[1-(4-iodanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5Z)-5-[[1-(4-iodo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5Z)-5-[[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: (5Z)-5-[[1-(4-iodo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5Z)-5-[[1-(4-iodo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-(p-tolyl)barbituric acid Formula: C25H22IN3O3 MolecularWeight: 539.36495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC(=C(C=C4)I)C)C)C(=O)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=C(N(C(=C3)C)C4=CC(=C(C=C4)I)C)C)/C(=O)NC2=O

InChI

InChI=1S/C25H22IN3O3/c1-14-5-7-19(8-6-14)29-24(31)21(23(30)27-25(29)32)13-18-12-16(3)28(17(18)4)20-9-10-22(26)15(2)11-20/h5-13H,1-4H3,(H,27,30,32)/b21-13-