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

Systemtic Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[6-[4-(4-fluorophenyl)-1-piperazinyl]-4-pyrimidinyl]thio]-N-phenylacetamide IUPAC Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[6-[4-(4-fluorophenyl)piperazino]pyrimidin-4-yl]thio]-N-phenyl-acetamide Formula: C22H22FN5OS MolecularWeight: 423.506383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=CC(=NC=N3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=CC(=NC=N3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H22FN5OS/c23-17-6-8-19(9-7-17)27-10-12-28(13-11-27)20-14-22(25-16-24-20)30-15-21(29)26-18-4-2-1-3-5-18/h1-9,14,16H,10-13,15H2,(H,26,29)