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

Systemtic Name: 2-[4-chloranyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-chloro-6-[4-(2-fluorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-chloro-6-[4-(2-fluorophenyl)piperazino]pyrimidin-2-yl]thio]-1-pyrrolidino-ethanone Formula: C20H23ClFN5OS MolecularWeight: 435.945923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C20H23ClFN5OS/c21-17-13-18(24-20(23-17)29-14-19(28)27-7-3-4-8-27)26-11-9-25(10-12-26)16-6-2-1-5-15(16)22/h1-2,5-6,13H,3-4,7-12,14H2