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

Systemtic Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[6-[4-(4-fluorophenyl)-1-piperazinyl]-4-pyrimidinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[6-[4-(4-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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN5OS/c22-17-4-6-18(7-5-17)25-10-12-26(13-11-25)19-14-20(24-16-23-19)29-15-21(28)27-8-2-1-3-9-27/h4-7,14,16H,1-3,8-13,15H2