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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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