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

Systemtic Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[6-[4-(4-fluorophenyl)-1-piperazinyl]-4-pyrimidinyl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[6-[4-(4-fluorophenyl)piperazino]pyrimidin-4-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C22H28FN5OS MolecularWeight: 429.554023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H28FN5OS/c1-17-6-8-28(9-7-17)22(29)15-30-21-14-20(24-16-25-21)27-12-10-26(11-13-27)19-4-2-18(23)3-5-19/h2-5,14,16-17H,6-13,15H2,1H3