4-(pyrimidin-2-ylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(pyrimidin-2-ylamino)benzene-1,3-dicarboxylic acid Openeye Name: 4-(pyrimidin-2-ylamino)benzene-1,3-dicarboxylic acid CAS Name: 4-(2-pyrimidinylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 4-(pyrimidin-2-ylamino)benzene-1,3-dicarboxylic acid Traditional Name: 4-(2-pyrimidylamino)isophthalic acid Formula: C12H9N3O4 MolecularWeight: 259.21756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC2=C(C=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)NC2=C(C=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C12H9N3O4/c16-10(17)7-2-3-9(8(6-7)11(18)19)15-12-13-4-1-5-14-12/h1-6H,(H,16,17)(H,18,19)(H,13,14,15)