2-[4-chloranyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-chloranyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-[4-(2-fluorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-[4-(2-fluorophenyl)piperazino]pyrimidin-2-yl]thio]acetic acid Formula: C16H16ClFN4O2S MolecularWeight: 382.840243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=CC(=NC(=N3)SCC(=O)O)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=CC(=NC(=N3)SCC(=O)O)Cl

InChI

InChI=1S/C16H16ClFN4O2S/c17-13-9-14(20-16(19-13)25-10-15(23)24)22-7-5-21(6-8-22)12-4-2-1-3-11(12)18/h1-4,9H,5-8,10H2,(H,23,24)