2-(6-azanyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-(6-amino-4-keto-4aH-quinazolin-3-ium-3-yl)-1,3-benzothiazole-6-carboxylic acid Formula: C16H11N4O3S+ MolecularWeight: 339.34854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=[N+](C(=O)C2C=C1N)C3=NC4=C(S3)C=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC2=NC=[N+](C(=O)C2C=C1N)C3=NC4=C(S3)C=C(C=C4)C(=O)O

InChI

InChI=1S/C16H10N4O3S/c17-9-2-4-11-10(6-9)14(21)20(7-18-11)16-19-12-3-1-8(15(22)23)5-13(12)24-16/h1-7,10H,17H2/p+1