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

Systemtic Name: 2-[2-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]thiazol-4-yl]acetic acid CAS Name: 2-[2-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[6-amino-4-keto-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]thiazol-4-yl]acetic acid Formula: C14H10F3N4O3S+ MolecularWeight: 371.31441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9F3N4O3S/c15-14(16,17)12-20-9-2-1-6(18)3-8(9)11(24)21(12)13-19-7(5-25-13)4-10(22)23/h1-3,5,8H,4,18H2/p+1