5-chloranyl-2-methoxy-4-(pyrimidin-2-ylamino)benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-4-(pyrimidin-2-ylamino)benzoic acid Openeye Name: 5-chloro-2-methoxy-4-(pyrimidin-2-ylamino)benzoic acid CAS Name: 5-chloro-2-methoxy-4-(2-pyrimidinylamino)benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-(pyrimidin-2-ylamino)benzoic acid Traditional Name: 5-chloro-2-methoxy-4-(2-pyrimidylamino)benzoic acid Formula: C12H10ClN3O3 MolecularWeight: 279.6791

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)NC2=NC=CC=N2

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)NC2=NC=CC=N2

InChI

InChI=1S/C12H10ClN3O3/c1-19-10-6-9(8(13)5-7(10)11(17)18)16-12-14-3-2-4-15-12/h2-6H,1H3,(H,17,18)(H,14,15,16)