3,6-bis(azanyl)-5-(4-carboxyphenyl)pyrazine-2-carboxylic acid

Systemtic Name: 3,6-bis(azanyl)-5-(4-carboxyphenyl)pyrazine-2-carboxylic acid Openeye Name: 3,6-diamino-5-(4-carboxyphenyl)pyrazine-2-carboxylic acid CAS Name: 3,6-diamino-5-(4-carboxyphenyl)-2-pyrazinecarboxylic acid IUPAC Name: 3,6-diamino-5-(4-carboxyphenyl)pyrazine-2-carboxylic acid Traditional Name: 3,6-diamino-5-(4-carboxyphenyl)pyrazinoic acid Formula: C12H10N4O4 MolecularWeight: 274.2322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O4/c13-9-7(15-10(14)8(16-9)12(19)20)5-1-3-6(4-2-5)11(17)18/h1-4H,(H2,13,16)(H2,14,15)(H,17,18)(H,19,20)