4-[(3,5-dimethylphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(3,5-dimethylphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(3,5-dimethylanilino)-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-(3,5-dimethylanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(3,5-dimethylanilino)-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-(3,5-dimethylanilino)-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC(=NC=C2C(=O)O)SC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC(=NC=C2C(=O)O)SC)C

InChI

InChI=1S/C14H15N3O2S/c1-8-4-9(2)6-10(5-8)16-12-11(13(18)19)7-15-14(17-12)20-3/h4-7H,1-3H3,(H,18,19)(H,15,16,17)