2-[[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 2-[[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[2-[(3-chlorophenyl)methylthio]-6-methyl-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[2-[(3-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[2-[(3-chlorobenzyl)thio]-6-methyl-pyrimidin-4-yl]amino]benzoic acid Formula: C19H16ClN3O2S MolecularWeight: 385.86724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC(=CC=C2)Cl)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC(=CC=C2)Cl)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H16ClN3O2S/c1-12-9-17(22-16-8-3-2-7-15(16)18(24)25)23-19(21-12)26-11-13-5-4-6-14(20)10-13/h2-10H,11H2,1H3,(H,24,25)(H,21,22,23)