2-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[6-[4-(2-fluorophenyl)-1-piperazinyl]-4-pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[6-[4-(2-fluorophenyl)piperazino]pyrimidin-4-yl]thio]-1-phenyl-ethanone Formula: C22H21FN4OS MolecularWeight: 408.491743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=CC(=NC=N3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=CC(=NC=N3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21FN4OS/c23-18-8-4-5-9-19(18)26-10-12-27(13-11-26)21-14-22(25-16-24-21)29-15-20(28)17-6-2-1-3-7-17/h1-9,14,16H,10-13,15H2