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

Systemtic Name: 1-(4-fluorophenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanone Openeye Name: 1-(4-fluorophenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 1-(4-fluorophenyl)-2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-fluorophenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylethanone Traditional Name: 1-(4-fluorophenyl)-2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]ethanone Formula: C22H21FN4OS MolecularWeight: 408.491743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=CC(=NC=N3)SCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=CC(=NC=N3)SCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4OS/c23-18-8-6-17(7-9-18)20(28)15-29-22-14-21(24-16-25-22)27-12-10-26(11-13-27)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2