(5E)-1-(1,3-benzodioxol-5-yl)-5-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: (5E)-1-(1,3-benzodioxol-5-yl)-5-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-1-(1,3-benzodioxol-5-yl)-5-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-1-(1,3-benzodioxol-5-yl)-5-[[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-1-(1,3-benzodioxol-5-yl)-5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-1-(1,3-benzodioxol-5-yl)-5-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]barbituric acid Formula: C24H18FN3O5 MolecularWeight: 447.415223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C3C(=O)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H18FN3O5/c1-13-9-15(14(2)27(13)17-5-3-16(25)4-6-17)10-19-22(29)26-24(31)28(23(19)30)18-7-8-20-21(11-18)33-12-32-20/h3-11H,12H2,1-2H3,(H,26,29,31)/b19-10+