1-(2,4-dimethylphenyl)-5-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(2,4-dimethylphenyl)-5-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(2,4-dimethylphenyl)-5-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(2,4-dimethylphenyl)-5-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(2,4-dimethylphenyl)-5-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(2,4-dimethylphenyl)-5-(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C24H24FN3O2S MolecularWeight: 437.529663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3C)N4CCCC4)F)C(=O)NC2=S)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3C)N4CCCC4)F)C(=O)NC2=S)C

InChI

InChI=1S/C24H24FN3O2S/c1-14-6-7-20(16(3)10-14)28-23(30)18(22(29)26-24(28)31)12-17-13-19(25)21(11-15(17)2)27-8-4-5-9-27/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,26,29,31)