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

Systemtic Name: (5E)-5-[(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[(3-fluoro-4-pyrrolidin-1-yl-phenyl)methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[[3-fluoro-4-(1-pyrrolidinyl)phenyl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-(3-fluoro-4-pyrrolidino-benzylidene)-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H16FN3O2S MolecularWeight: 333.380543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C=C2)N3CCCC3)F)C(=O)NC1=S

Isomeric SMILES

CN1C(=O)/C(=C/C2=CC(=C(C=C2)N3CCCC3)F)/C(=O)NC1=S

InChI

InChI=1S/C16H16FN3O2S/c1-19-15(22)11(14(21)18-16(19)23)8-10-4-5-13(12(17)9-10)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,21,23)/b11-8+