2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-(3-methoxyphenyl)ethanone

Systemtic Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-(3-methoxyphenyl)ethanone Openeye Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-(3-methoxyphenyl)ethanone CAS Name: 2-[[6-[4-(4-fluorophenyl)-1-piperazinyl]-4-pyrimidinyl]thio]-1-(3-methoxyphenyl)ethanone IUPAC Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-1-(3-methoxyphenyl)ethanone Traditional Name: 2-[[6-[4-(4-fluorophenyl)piperazino]pyrimidin-4-yl]thio]-1-(3-methoxyphenyl)ethanone Formula: C23H23FN4O2S MolecularWeight: 438.517723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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