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

Systemtic Name: 2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-ethyl-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-ethyl-pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[2-[(2-chlorophenyl)methylthio]-6-ethyl-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-ethylpyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[2-[(2-chlorobenzyl)thio]-6-ethyl-pyrimidin-4-yl]amino]benzoic acid Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC=C2Cl)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC=C2Cl)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H18ClN3O2S/c1-2-14-11-18(23-17-10-6-4-8-15(17)19(25)26)24-20(22-14)27-12-13-7-3-5-9-16(13)21/h3-11H,2,12H2,1H3,(H,25,26)(H,22,23,24)