3,6-bis(azanyl)-5-(7-carboxy-1-benzofuran-4-yl)pyrazine-2-carboxylic acid

Systemtic Name: 3,6-bis(azanyl)-5-(7-carboxy-1-benzofuran-4-yl)pyrazine-2-carboxylic acid Openeye Name: 3,6-diamino-5-(7-carboxybenzofuran-4-yl)pyrazine-2-carboxylic acid CAS Name: 3,6-diamino-5-(7-carboxy-4-benzofuranyl)-2-pyrazinecarboxylic acid IUPAC Name: 3,6-diamino-5-(7-carboxy-1-benzofuran-4-yl)pyrazine-2-carboxylic acid Traditional Name: 3,6-diamino-5-(7-carboxybenzofuran-4-yl)pyrazinoic acid Formula: C14H10N4O5 MolecularWeight: 314.253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1C3=C(N=C(C(=N3)N)C(=O)O)N)C=CO2)C(=O)O

Isomeric SMILES

C1=CC(=C2C(=C1C3=C(N=C(C(=N3)N)C(=O)O)N)C=CO2)C(=O)O

InChI

InChI=1S/C14H10N4O5/c15-11-8(17-12(16)9(18-11)14(21)22)5-1-2-7(13(19)20)10-6(5)3-4-23-10/h1-4H,(H2,15,18)(H2,16,17)(H,19,20)(H,21,22)