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

Systemtic Name: 2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-propan-2-yl-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-isopropyl-pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[2-[(2-chlorophenyl)methylthio]-6-propan-2-yl-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-propan-2-ylpyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[2-[(2-chlorobenzyl)thio]-6-isopropyl-pyrimidin-4-yl]amino]benzoic acid Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC=C2Cl)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC=C2Cl)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H20ClN3O2S/c1-13(2)18-11-19(23-17-10-6-4-8-15(17)20(26)27)25-21(24-18)28-12-14-7-3-5-9-16(14)22/h3-11,13H,12H2,1-2H3,(H,26,27)(H,23,24,25)