2-[4-chloranyl-6-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide CAS Name: 2-[[4-chloro-6-[4-(2,2-dimethyl-1-oxopropyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-fluorophenyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-pivaloyl-piperazino)pyrimidin-2-yl]thio]-N-(2-fluorophenyl)acetamide Formula: C22H27ClFN5O2S MolecularWeight: 479.998483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NC3=CC=CC=C3F)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NC3=CC=CC=C3F)Cl

InChI

InChI=1S/C22H27ClFN5O2S/c1-14-12-28(9-10-29(14)20(31)22(2,3)4)18-11-17(23)26-21(27-18)32-13-19(30)25-16-8-6-5-7-15(16)24/h5-8,11,14H,9-10,12-13H2,1-4H3,(H,25,30)