2-[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

Systemtic Name: 2-[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Openeye Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-1-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Traditional Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]-1-[4-[3-(trifluoromethyl)phenyl]piperazino]ethanone Formula: C28H30ClF3N6O2S MolecularWeight: 607.09001

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)Cl

InChI

InChI=1S/C28H30ClF3N6O2S/c1-40-23-7-5-21(6-8-23)35-9-13-37(14-10-35)25-18-24(29)33-27(34-25)41-19-26(39)38-15-11-36(12-16-38)22-4-2-3-20(17-22)28(30,31)32/h2-8,17-18H,9-16,19H2,1H3