4-chloranyl-2-(4-cyanophenyl)pyrimidine-5-carboxylic acid

Systemtic Name: 4-chloranyl-2-(4-cyanophenyl)pyrimidine-5-carboxylic acid Openeye Name: 4-chloro-2-(4-cyanophenyl)pyrimidine-5-carboxylic acid CAS Name: 4-chloro-2-(4-cyanophenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 4-chloro-2-(4-cyanophenyl)pyrimidine-5-carboxylic acid Traditional Name: 4-chloro-2-(4-cyanophenyl)pyrimidine-5-carboxylic acid Formula: C12H6ClN3O2 MolecularWeight: 259.64794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=NC=C(C(=N2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NC=C(C(=N2)Cl)C(=O)O

InChI

InChI=1S/C12H6ClN3O2/c13-10-9(12(17)18)6-15-11(16-10)8-3-1-7(5-14)2-4-8/h1-4,6H,(H,17,18)