[3-[[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone

Systemtic Name: [3-[[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone Openeye Name: [3-[[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone CAS Name: [3-[[[4-chloro-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]phenyl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone IUPAC Name: [3-[[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone Traditional Name: [3-[[[4-chloro-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]methyl]phenyl]-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone Formula: C33H40ClN5O2S MolecularWeight: 606.221

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C1)(CN2C(=O)C3=CC(=CC=C3)CSC4=NC(=CC(=N4)Cl)N5CCN(CC5)C6=CC=C(C=C6)OC)C)C

Isomeric SMILES

CC1(CC2CC(C1)(CN2C(=O)C3=CC(=CC=C3)CSC4=NC(=CC(=N4)Cl)N5CCN(CC5)C6=CC=C(C=C6)OC)C)C

InChI

InChI=1S/C33H40ClN5O2S/c1-32(2)18-26-19-33(3,21-32)22-39(26)30(40)24-7-5-6-23(16-24)20-42-31-35-28(34)17-29(36-31)38-14-12-37(13-15-38)25-8-10-27(41-4)11-9-25/h5-11,16-17,26H,12-15,18-22H2,1-4H3