1-methylidene-8-[methyl-[(E)-(1-methyl-5-sulfo-pyridin-2-ylidene)amino]amino]-5-oxidanylidene-quinazolin-1-ium-6-carboxylic acid

Systemtic Name: 1-methylidene-8-[methyl-[(E)-(1-methyl-5-sulfo-pyridin-2-ylidene)amino]amino]-5-oxidanylidene-quinazolin-1-ium-6-carboxylic acid Openeye Name: 1-methylene-8-[methyl-[(E)-(1-methyl-5-sulfo-2-pyridylidene)amino]amino]-5-oxo-quinazolin-1-ium-6-carboxylic acid CAS Name: 1-methylene-8-[methyl-[(E)-(1-methyl-5-sulfo-2-pyridinylidene)amino]amino]-5-oxo-6-quinazolin-1-iumcarboxylic acid IUPAC Name: 1-methylidene-8-[methyl-[(E)-(1-methyl-5-sulfopyridin-2-ylidene)amino]amino]-5-oxoquinazolin-1-ium-6-carboxylic acid Traditional Name: 5-keto-1-methylene-8-[methyl-[(E)-(1-methyl-5-sulfo-2-pyridylidene)amino]amino]quinazolin-1-ium-6-carboxylic acid Formula: C17H16N5O6S+ MolecularWeight: 418.40384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=CC1=NN(C)C2=C3C(=CN=C[N+]3=C)C(=O)C(=C2)C(=O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O6S/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,2H2,1,3H3,(H-,24,25,26,27,28)/p+1/b19-14+