2-[2-(6-azanyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-(6-azanyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)thiazol-4-yl]acetic acid CAS Name: 2-[2-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)-4-thiazolyl]acetic acid IUPAC Name: 2-[2-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-(6-amino-4-keto-4aH-quinazolin-3-ium-3-yl)thiazol-4-yl]acetic acid Formula: C13H11N4O3S+ MolecularWeight: 303.31644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=[N+](C(=O)C2C=C1N)C3=NC(=CS3)CC(=O)O

Isomeric SMILES

C1=CC2=NC=[N+](C(=O)C2C=C1N)C3=NC(=CS3)CC(=O)O

InChI

InChI=1S/C13H10N4O3S/c14-7-1-2-10-9(3-7)12(20)17(6-15-10)13-16-8(5-21-13)4-11(18)19/h1-3,5-6,9H,4,14H2/p+1