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

Systemtic Name: 3,6-bis(azanyl)-5-(4-carboxynaphthalen-1-yl)pyrazine-2-carboxylic acid Openeye Name: 3,6-diamino-5-(4-carboxy-1-naphthyl)pyrazine-2-carboxylic acid CAS Name: 3,6-diamino-5-(4-carboxy-1-naphthalenyl)-2-pyrazinecarboxylic acid IUPAC Name: 3,6-diamino-5-(4-carboxynaphthalen-1-yl)pyrazine-2-carboxylic acid Traditional Name: 3,6-diamino-5-(4-carboxy-1-naphthyl)pyrazinoic acid Formula: C16H12N4O4 MolecularWeight: 324.29088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2C(=O)O)C3=C(N=C(C(=N3)N)C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2C(=O)O)C3=C(N=C(C(=N3)N)C(=O)O)N

InChI

InChI=1S/C16H12N4O4/c17-13-11(19-14(18)12(20-13)16(23)24)9-5-6-10(15(21)22)8-4-2-1-3-7(8)9/h1-6H,(H2,17,20)(H2,18,19)(H,21,22)(H,23,24)