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

Systemtic Name: 3-[[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 3-[(2-benzylsulfanyl-6-methyl-pyrimidin-4-yl)amino]benzoic acid CAS Name: 3-[[6-methyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[(2-benzylsulfanyl-6-methylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 3-[[2-(benzylthio)-6-methyl-pyrimidin-4-yl]amino]benzoic acid Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)O

InChI

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