4-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide

Systemtic Name: 4-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide Openeye Name: 4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide CAS Name: 4-[[[4-chloro-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]-N-(4-fluorophenyl)benzamide IUPAC Name: 4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide Traditional Name: 4-[[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]-N-(4-fluorophenyl)benzamide Formula: C20H18ClFN4OS MolecularWeight: 416.899523

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CN(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C20H18ClFN4OS/c1-26(2)18-11-17(21)24-20(25-18)28-12-13-3-5-14(6-4-13)19(27)23-16-9-7-15(22)8-10-16/h3-11H,12H2,1-2H3,(H,23,27)