(5E)-5-[[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: (5E)-5-[[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-5-[[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-(2-furylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-5-[[1-(4-bromo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1-(2-furanylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-5-[[1-(4-bromo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-5-[[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-(2-furfuryl)barbituric acid Formula: C23H20BrN3O4 MolecularWeight: 482.3266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)/C=C/3\C(=O)NC(=O)N(C3=O)CC4=CC=CO4

InChI

InChI=1S/C23H20BrN3O4/c1-13-9-17(6-7-20(13)24)27-14(2)10-16(15(27)3)11-19-21(28)25-23(30)26(22(19)29)12-18-5-4-8-31-18/h4-11H,12H2,1-3H3,(H,25,28,30)/b19-11+