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

Systemtic Name: 5-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methylene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H20FN3O2S MolecularWeight: 409.476503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20FN3O2S/c1-14-11-19(25-9-5-6-10-25)18(23)13-15(14)12-17-20(27)24-22(29)26(21(17)28)16-7-3-2-4-8-16/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,24,27,29)