2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methyleneamino]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylideneamino]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)amino]acetamide Formula: C20H24FN5OS MolecularWeight: 401.500863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=NNC(=O)CSC2=NC(=CC(=N2)C)C)F)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1C=NNC(=O)CSC2=NC(=CC(=N2)C)C)F)N3CCCC3

InChI

InChI=1S/C20H24FN5OS/c1-13-8-18(26-6-4-5-7-26)17(21)10-16(13)11-22-25-19(27)12-28-20-23-14(2)9-15(3)24-20/h8-11H,4-7,12H2,1-3H3,(H,25,27)