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

Systemtic Name: 2-[4-chloranyl-6-[2-dimethylaminoethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-1-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethanone Openeye Name: 2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanyl-1-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethanone CAS Name: 2-[[4-chloro-6-[2-dimethylaminoethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]-1-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethanone IUPAC Name: 2-[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloropyrimidin-2-yl]sulfanyl-1-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethanone Traditional Name: 2-[[4-[benzyl(2-dimethylaminoethyl)amino]-6-chloro-pyrimidin-2-yl]thio]-1-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethanone Formula: C27H38ClN5OS MolecularWeight: 516.14152

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C1)(CN2C(=O)CSC3=NC(=CC(=N3)Cl)N(CCN(C)C)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1(CC2CC(C1)(CN2C(=O)CSC3=NC(=CC(=N3)Cl)N(CCN(C)C)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C27H38ClN5OS/c1-26(2)14-21-15-27(3,18-26)19-33(21)24(34)17-35-25-29-22(28)13-23(30-25)32(12-11-31(4)5)16-20-9-7-6-8-10-20/h6-10,13,21H,11-12,14-19H2,1-5H3