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

Systemtic Name: 5-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methylene]-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H22FN3O3S MolecularWeight: 439.502483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22FN3O3S/c1-14-11-20(26-9-3-4-10-26)19(24)13-15(14)12-18-21(28)25-23(31)27(22(18)29)16-5-7-17(30-2)8-6-16/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,25,28,31)