(phenylmethyl) 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylethanoate Openeye Name: benzyl 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[6-[4-(4-fluorophenyl)-1-piperazinyl]-4-pyrimidinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[6-[4-(4-fluorophenyl)piperazino]pyrimidin-4-yl]thio]acetic acid benzyl ester Formula: C23H23FN4O2S MolecularWeight: 438.517723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=CC(=NC=N3)SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=CC(=NC=N3)SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H23FN4O2S/c24-19-6-8-20(9-7-19)27-10-12-28(13-11-27)21-14-22(26-17-25-21)31-16-23(29)30-15-18-4-2-1-3-5-18/h1-9,14,17H,10-13,15-16H2