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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F)Cl

InChI

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