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

Systemtic Name: 4-[(3-chlorophenyl)amino]pyrimidine-5-carboxylic acid Openeye Name: 4-(3-chloroanilino)pyrimidine-5-carboxylic acid CAS Name: 4-(3-chloroanilino)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(3-chloroanilino)pyrimidine-5-carboxylic acid Traditional Name: 4-(3-chloroanilino)pyrimidine-5-carboxylic acid Formula: C11H8ClN3O2 MolecularWeight: 249.65312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC2=NC=NC=C2C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC2=NC=NC=C2C(=O)O

InChI

InChI=1S/C11H8ClN3O2/c12-7-2-1-3-8(4-7)15-10-9(11(16)17)5-13-6-14-10/h1-6H,(H,16,17)(H,13,14,15)