(8E)-5-oxidanylidene-8-[(5-sulfopyrazin-2-yl)hydrazinylidene]quinazoline-6-carboxylic acid

Systemtic Name: (8E)-5-oxidanylidene-8-[(5-sulfopyrazin-2-yl)hydrazinylidene]quinazoline-6-carboxylic acid Openeye Name: (8E)-5-oxo-8-[(5-sulfopyrazin-2-yl)hydrazono]quinazoline-6-carboxylic acid CAS Name: (8E)-5-oxo-8-[(5-sulfo-2-pyrazinyl)hydrazinylidene]-6-quinazolinecarboxylic acid IUPAC Name: (8E)-5-oxo-8-[(5-sulfopyrazin-2-yl)hydrazinylidene]quinazoline-6-carboxylic acid Traditional Name: (8E)-5-keto-8-[(5-sulfopyrazin-2-yl)hydrazono]quinazoline-6-carboxylic acid Formula: C13H8N6O6S MolecularWeight: 376.30422

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)C2=CN=CN=C2C1=NNC3=CN=C(C=N3)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C\1=C(C(=O)C2=CN=CN=C2/C1=N/NC3=CN=C(C=N3)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C13H8N6O6S/c20-12-6(13(21)22)1-8(11-7(12)2-14-5-17-11)18-19-9-3-16-10(4-15-9)26(23,24)25/h1-5H,(H,15,19)(H,21,22)(H,23,24,25)/b18-8+