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

Systemtic Name: 4-[(4-methoxyphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(4-methoxyanilino)-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-(4-methoxyanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-methoxyanilino)-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-(methylthio)-4-(p-anisidino)pyrimidine-5-carboxylic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)O)SC

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)O)SC

InChI

InChI=1S/C13H13N3O3S/c1-19-9-5-3-8(4-6-9)15-11-10(12(17)18)7-14-13(16-11)20-2/h3-7H,1-2H3,(H,17,18)(H,14,15,16)