4-[6-azanyl-3-(6-azanylpyridazin-3-yl)-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid

Systemtic Name: 4-[6-azanyl-3-(6-azanylpyridazin-3-yl)-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid Openeye Name: 4-[6-amino-3-(6-aminopyridazin-3-yl)-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid CAS Name: 4-[6-amino-3-(6-amino-3-pyridazinyl)-5-(4-carboxyphenyl)-2-pyrazinyl]benzoic acid IUPAC Name: 4-[6-amino-3-(6-aminopyridazin-3-yl)-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid Traditional Name: 4-[6-amino-3-(6-aminopyridazin-3-yl)-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid Formula: C22H16N6O4 MolecularWeight: 428.40024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(N=C(C(=N2)N)C3=CC=C(C=C3)C(=O)O)C4=NN=C(C=C4)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(N=C(C(=N2)N)C3=CC=C(C=C3)C(=O)O)C4=NN=C(C=C4)N)C(=O)O

InChI

InChI=1S/C22H16N6O4/c23-16-10-9-15(27-28-16)19-17(11-1-5-13(6-2-11)21(29)30)26-20(24)18(25-19)12-3-7-14(8-4-12)22(31)32/h1-10H,(H2,23,28)(H2,24,26)(H,29,30)(H,31,32)