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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24FN3O2S/c1-14-8-15(2)10-18(9-14)28-23(30)19(22(29)26-24(28)31)12-17-13-20(25)21(11-16(17)3)27-6-4-5-7-27/h8-13H,4-7H2,1-3H3,(H,26,29,31)