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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C2C(=O)NC(=S)NC2=O)F)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1C=C2C(=O)NC(=S)NC2=O)F)N3CCCC3

InChI

InChI=1S/C16H16FN3O2S/c1-9-6-13(20-4-2-3-5-20)12(17)8-10(9)7-11-14(21)18-16(23)19-15(11)22/h6-8H,2-5H2,1H3,(H2,18,19,21,22,23)