4-[(2-methylphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(2-methylphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-methylanilino)-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-methylanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-methylanilino)-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-(methylthio)-4-(o-toluidino)pyrimidine-5-carboxylic acid Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC=C2C(=O)O)SC

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC=C2C(=O)O)SC

InChI

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