1-(4-bromanyl-2-methyl-phenyl)-5-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)-5-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-bromo-2-methyl-phenyl)-5-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-bromo-2-methylphenyl)-5-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-bromo-2-methylphenyl)-5-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-bromo-2-methyl-phenyl)-5-(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)barbituric acid Formula: C23H21BrFN3O3 MolecularWeight: 486.333543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C2C(=O)NC(=O)N(C2=O)C3=C(C=C(C=C3)Br)C)F)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1C=C2C(=O)NC(=O)N(C2=O)C3=C(C=C(C=C3)Br)C)F)N4CCCC4

InChI

InChI=1S/C23H21BrFN3O3/c1-13-10-20(27-7-3-4-8-27)18(25)12-15(13)11-17-21(29)26-23(31)28(22(17)30)19-6-5-16(24)9-14(19)2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,26,29,31)