4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)benzoic acid

Systemtic Name: 4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)benzoic acid Openeye Name: 4-(2-amino-6-chloro-pyrimidin-4-yl)benzoic acid CAS Name: 4-(2-amino-6-chloro-4-pyrimidinyl)benzoic acid IUPAC Name: 4-(2-amino-6-chloropyrimidin-4-yl)benzoic acid Traditional Name: 4-(2-amino-6-chloro-pyrimidin-4-yl)benzoic acid Formula: C11H8ClN3O2 MolecularWeight: 249.65312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NC(=N2)N)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NC(=N2)N)Cl)C(=O)O

InChI

InChI=1S/C11H8ClN3O2/c12-9-5-8(14-11(13)15-9)6-1-3-7(4-2-6)10(16)17/h1-5H,(H,16,17)(H2,13,14,15)