2-[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethanone

Systemtic Name: 2-[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethanone Openeye Name: 2-[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethanone CAS Name: 2-[[4-chloro-6-[4-(3-chlorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-1-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethanone IUPAC Name: 2-[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethanone Traditional Name: 2-[[4-chloro-6-[4-(3-chlorophenyl)piperazino]pyrimidin-2-yl]thio]-1-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethanone Formula: C26H33Cl2N5OS MolecularWeight: 534.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C1)(CN2C(=O)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C5=CC(=CC=C5)Cl)C)C

Isomeric SMILES

CC1(CC2CC(C1)(CN2C(=O)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C5=CC(=CC=C5)Cl)C)C

InChI

InChI=1S/C26H33Cl2N5OS/c1-25(2)13-20-14-26(3,16-25)17-33(20)23(34)15-35-24-29-21(28)12-22(30-24)32-9-7-31(8-10-32)19-6-4-5-18(27)11-19/h4-6,11-12,20H,7-10,13-17H2,1-3H3