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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H27ClFN5O2S/c1-4-27(5-2)20(30)14-32-22-25-18(23)12-19(26-22)28-9-10-29(15(3)13-28)21(31)16-7-6-8-17(24)11-16/h6-8,11-12,15H,4-5,9-10,13-14H2,1-3H3