2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]amino]-4-fluoranyl-benzoic acid

Systemtic Name: 2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]amino]-4-fluoranyl-benzoic acid Openeye Name: 2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]amino]-4-fluoro-benzoic acid CAS Name: 2-[[2-[(2-chlorophenyl)methylthio]-6-methyl-4-pyrimidinyl]amino]-4-fluorobenzoic acid IUPAC Name: 2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]amino]-4-fluorobenzoic acid Traditional Name: 2-[[2-[(2-chlorobenzyl)thio]-6-methyl-pyrimidin-4-yl]amino]-4-fluoro-benzoic acid Formula: C19H15ClFN3O2S MolecularWeight: 403.857703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2Cl)NC3=C(C=CC(=C3)F)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2Cl)NC3=C(C=CC(=C3)F)C(=O)O

InChI

InChI=1S/C19H15ClFN3O2S/c1-11-8-17(23-16-9-13(21)6-7-14(16)18(25)26)24-19(22-11)27-10-12-4-2-3-5-15(12)20/h2-9H,10H2,1H3,(H,25,26)(H,22,23,24)