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

Systemtic Name: 2-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[6-[4-(2-fluorophenyl)-1-piperazinyl]-4-pyrimidinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[6-[4-(2-fluorophenyl)piperazino]pyrimidin-4-yl]thio]-1-piperidino-ethanone Formula: C21H26FN5OS MolecularWeight: 415.527443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H26FN5OS/c22-17-6-2-3-7-18(17)25-10-12-26(13-11-25)19-14-20(24-16-23-19)29-15-21(28)27-8-4-1-5-9-27/h2-3,6-7,14,16H,1,4-5,8-13,15H2