2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]ethanoate

Systemtic Name: 2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]ethanoate Openeye Name: 2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]ammonio]acetate CAS Name: 2-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]ammonio]acetate IUPAC Name: 2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]acetate Traditional Name: 2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]ammonio]acetate Formula: C12H10F3N3O2 MolecularWeight: 285.22191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2[NH2+]CC(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2[NH2+]CC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H10F3N3O2/c1-6-2-3-8-7(4-6)10(16-5-9(19)20)18-11(17-8)12(13,14)15/h2-4H,5H2,1H3,(H,19,20)(H,16,17,18)