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

Systemtic Name: 2-[4-chloranyl-6-[(4-fluorophenyl)amino]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-(4-fluoroanilino)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-(4-fluoroanilino)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-(4-fluoroanilino)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-(4-fluoroanilino)pyrimidin-2-yl]thio]acetic acid Formula: C12H9ClFN3O2S MolecularWeight: 313.735163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC(=NC(=N2)SCC(=O)O)Cl)F

Isomeric SMILES

C1=CC(=CC=C1NC2=CC(=NC(=N2)SCC(=O)O)Cl)F

InChI

InChI=1S/C12H9ClFN3O2S/c13-9-5-10(15-8-3-1-7(14)2-4-8)17-12(16-9)20-6-11(18)19/h1-5H,6H2,(H,18,19)(H,15,16,17)