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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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