N-tert-butyl-2-[4-chloranyl-6-[4-(3-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[4-chloranyl-6-[4-(3-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[4-chloro-6-[4-(3-fluorobenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[4-chloro-6-[4-[(3-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[4-chloro-6-[4-(3-fluorobenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-tert-butyl-2-[[4-chloro-6-[4-(3-fluorobenzoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetamide Formula: C22H27ClFN5O2S MolecularWeight: 479.998483

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC=C2)F)C3=CC(=NC(=N3)SCC(=O)NC(C)(C)C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC=C2)F)C3=CC(=NC(=N3)SCC(=O)NC(C)(C)C)Cl

InChI

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