4-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-ethyl-6-[4-(2-fluorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 4-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-ethyl-6-[4-(2-fluorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C24H25FN4O2S MolecularWeight: 452.544303

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C24H25FN4O2S/c1-2-19-15-22(29-13-11-28(12-14-29)21-6-4-3-5-20(21)25)27-24(26-19)32-16-17-7-9-18(10-8-17)23(30)31/h3-10,15H,2,11-14,16H2,1H3,(H,30,31)