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

Systemtic Name: 2-[4-chloranyl-6-[(4-fluorophenyl)methylamino]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-[(4-fluorophenyl)methylamino]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-[(4-fluorophenyl)methylamino]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-[(4-fluorophenyl)methylamino]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-[(4-fluorobenzyl)amino]pyrimidin-2-yl]thio]acetic acid Formula: C13H11ClFN3O2S MolecularWeight: 327.761743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC(=NC(=N2)SCC(=O)O)Cl)F

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC(=NC(=N2)SCC(=O)O)Cl)F

InChI

InChI=1S/C13H11ClFN3O2S/c14-10-5-11(18-13(17-10)21-7-12(19)20)16-6-8-1-3-9(15)4-2-8/h1-5H,6-7H2,(H,19,20)(H,16,17,18)