2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone Openeye Name: 2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(2-ethyl-1-piperidyl)ethanone CAS Name: 2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-(2-ethyl-1-piperidinyl)ethanone IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-1-(2-ethylpiperidino)ethanone Formula: C22H26F3N3O3S MolecularWeight: 469.52035

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H26F3N3O3S/c1-4-15-7-5-6-10-28(15)20(29)13-32-21-26-16(12-19(27-21)22(23,24)25)14-8-9-17(30-2)18(11-14)31-3/h8-9,11-12,15H,4-7,10,13H2,1-3H3