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

Systemtic Name: 3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzoic acid CAS Name: 3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]benzoic acid Formula: C13H13N3O2S MolecularWeight: 275.32622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H13N3O2S/c1-8-6-11(16-13(14-8)19-2)15-10-5-3-4-9(7-10)12(17)18/h3-7H,1-2H3,(H,17,18)(H,14,15,16)