(6E)-6-[(6-carboxy-1-methylidene-5-oxidanylidene-quinazolin-1-ium-8-yl)-methanidyl-hydrazinylidene]-1-methanidyl-pyridine-3-sulfonate

Systemtic Name: (6E)-6-[(6-carboxy-1-methylidene-5-oxidanylidene-quinazolin-1-ium-8-yl)-methanidyl-hydrazinylidene]-1-methanidyl-pyridine-3-sulfonate Openeye Name: (6E)-6-[(6-carboxy-1-methylene-5-oxo-quinazolin-1-ium-8-yl)-methanidyl-hydrazono]-1-methanidyl-pyridine-3-sulfonate CAS Name: (6E)-6-[(6-carboxy-1-methylene-5-oxo-8-quinazolin-1-iumyl)-methanidylhydrazinylidene]-1-methanidyl-3-pyridinesulfonate IUPAC Name: (6E)-6-[(6-carboxy-1-methylidene-5-oxoquinazolin-1-ium-8-yl)-methanidylhydrazinylidene]-1-methanidylpyridine-3-sulfonate Traditional Name: (6E)-6-[(6-carboxy-5-keto-1-methylene-quinazolin-1-ium-8-yl)-methanidyl-hydrazono]-1-methanidyl-pyridine-3-sulfonate Formula: C17H13N5O6S-2 MolecularWeight: 415.38002

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]N1C=C(C=CC1=NN([CH2-])C2=C3C(=CN=C[N+]3=C)C(=O)C(=C2)C(=O)O)S(=O)(=O)[O-]

Isomeric SMILES

[CH2-]N\1C=C(C=C/C1=N\N([CH2-])C2=C3C(=CN=C[N+]3=C)C(=O)C(=C2)C(=O)O)S(=O)(=O)[O-]

InChI

InChI=1S/C17H14N5O6S/c1-20-8-10(29(26,27)28)4-5-14(20)19-22(3)13-6-11(17(24)25)16(23)12-7-18-9-21(2)15(12)13/h4-9H,1-3H2,(H,24,25)(H,26,27,28)/q-1/p-1/b19-14+