2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]ethanamide

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]ethanamide Openeye Name: 2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide CAS Name: 2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide Traditional Name: 2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-[3-(2-ketopyrrolidino)propyl]acetamide Formula: C22H25F3N4O4S MolecularWeight: 498.51851

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCCCN3CCCC3=O)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCCCN3CCCC3=O)C(F)(F)F)OC

InChI

InChI=1S/C22H25F3N4O4S/c1-32-16-7-6-14(11-17(16)33-2)15-12-18(22(23,24)25)28-21(27-15)34-13-19(30)26-8-4-10-29-9-3-5-20(29)31/h6-7,11-12H,3-5,8-10,13H2,1-2H3,(H,26,30)