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

Systemtic Name: 4-[[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]methyl]benzoic acid CAS Name: 4-[[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]methyl]benzoic acid Traditional Name: 4-[[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]methyl]benzoic acid Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NCC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=CC(=N1)NCC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O2S/c1-25-19-21-16(14-5-3-2-4-6-14)11-17(22-19)20-12-13-7-9-15(10-8-13)18(23)24/h2-11H,12H2,1H3,(H,23,24)(H,20,21,22)