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

Systemtic Name: 4-[(3,5-dimethylphenyl)amino]pyrimidine-5-carboxylic acid Openeye Name: 4-(3,5-dimethylanilino)pyrimidine-5-carboxylic acid CAS Name: 4-(3,5-dimethylanilino)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(3,5-dimethylanilino)pyrimidine-5-carboxylic acid Traditional Name: 4-(3,5-dimethylanilino)pyrimidine-5-carboxylic acid Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O2/c1-8-3-9(2)5-10(4-8)16-12-11(13(17)18)6-14-7-15-12/h3-7H,1-2H3,(H,17,18)(H,14,15,16)