1-[4-[6-chloranyl-2-[2-oxidanylidene-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[4-[6-chloranyl-2-[2-oxidanylidene-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-[6-chloro-2-[2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-[6-chloro-2-[2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[4-[6-chloro-2-[[2-keto-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazino]-2,2-dimethyl-propan-1-one Formula: C26H40ClN5O2S MolecularWeight: 522.1461

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)(C)C)C2=CC(=NC(=N2)SCC(=O)N3CC4(CC3CC(C4)(C)C)C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C(C)(C)C)C2=CC(=NC(=N2)SCC(=O)N3CC4(CC3CC(C4)(C)C)C)Cl

InChI

InChI=1S/C26H40ClN5O2S/c1-17-13-30(8-9-31(17)22(34)24(2,3)4)20-10-19(27)28-23(29-20)35-14-21(33)32-16-26(7)12-18(32)11-25(5,6)15-26/h10,17-18H,8-9,11-16H2,1-7H3