N-butan-2-yl-2-[4-chloranyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-butan-2-yl-2-[4-chloranyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[4-chloro-6-[4-(2-fluorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-chloro-6-[4-(2-fluorophenyl)piperazino]pyrimidin-2-yl]thio]-N-sec-butyl-acetamide Formula: C20H25ClFN5OS MolecularWeight: 437.961803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C20H25ClFN5OS/c1-3-14(2)23-19(28)13-29-20-24-17(21)12-18(25-20)27-10-8-26(9-11-27)16-7-5-4-6-15(16)22/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,23,28)