3-[[4-chloranyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[4-chloranyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-chloro-6-[4-(2-fluorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-chloro-6-[4-(2-fluorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C22H20ClFN4O2S MolecularWeight: 458.936203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)O)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)O)Cl

InChI

InChI=1S/C22H20ClFN4O2S/c23-19-13-20(28-10-8-27(9-11-28)18-7-2-1-6-17(18)24)26-22(25-19)31-14-15-4-3-5-16(12-15)21(29)30/h1-7,12-13H,8-11,14H2,(H,29,30)