1-[4-[6-chloranyl-2-[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanyl-pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[4-[6-chloranyl-2-[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanyl-pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-[6-chloro-2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanyl-pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]thio]-4-pyrimidinyl]-1-piperazinyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-[6-chloro-2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylpyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[4-[6-chloro-2-[[2-keto-2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethyl]thio]pyrimidin-4-yl]piperazino]-2,2-dimethyl-propan-1-one Formula: C26H32ClF3N6O2S MolecularWeight: 585.08449

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C26H32ClF3N6O2S/c1-25(2,3)23(38)36-13-9-34(10-14-36)21-16-20(27)31-24(32-21)39-17-22(37)35-11-7-33(8-12-35)19-6-4-5-18(15-19)26(28,29)30/h4-6,15-16H,7-14,17H2,1-3H3