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

Systemtic Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[6-[4-(4-fluorophenyl)-1-piperazinyl]-4-pyrimidinyl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[6-[4-(4-fluorophenyl)piperazino]pyrimidin-4-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C23H23FN4O2S MolecularWeight: 438.517723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN4O2S/c1-30-20-8-2-17(3-9-20)21(29)15-31-23-14-22(25-16-26-23)28-12-10-27(11-13-28)19-6-4-18(24)5-7-19/h2-9,14,16H,10-13,15H2,1H3