4-[3,6-bis(azanyl)-5-(4-carboxyphenyl)pyrazin-2-yl]anthracene-1-carboxylic acid

Systemtic Name: 4-[3,6-bis(azanyl)-5-(4-carboxyphenyl)pyrazin-2-yl]anthracene-1-carboxylic acid Openeye Name: 4-[3,6-diamino-5-(4-carboxyphenyl)pyrazin-2-yl]anthracene-1-carboxylic acid CAS Name: 4-[3,6-diamino-5-(4-carboxyphenyl)-2-pyrazinyl]-1-anthracenecarboxylic acid IUPAC Name: 4-[3,6-diamino-5-(4-carboxyphenyl)pyrazin-2-yl]anthracene-1-carboxylic acid Traditional Name: 4-[3,6-diamino-5-(4-carboxyphenyl)pyrazin-2-yl]anthracene-1-carboxylic acid Formula: C26H18N4O4 MolecularWeight: 450.44552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC=C(C3=CC2=C1)C4=NC(=C(N=C4N)C5=CC=C(C=C5)C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C=C3C(=CC=C(C3=CC2=C1)C4=NC(=C(N=C4N)C5=CC=C(C=C5)C(=O)O)N)C(=O)O

InChI

InChI=1S/C26H18N4O4/c27-23-21(13-5-7-14(8-6-13)25(31)32)29-24(28)22(30-23)17-9-10-18(26(33)34)20-12-16-4-2-1-3-15(16)11-19(17)20/h1-12H,(H2,27,30)(H2,28,29)(H,31,32)(H,33,34)