(2S,3S)-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]ammonio]-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]ammonio]-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-hydroxybutanoate Traditional Name: (2S,3S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]ammonio]-3-hydroxy-butyrate Formula: C13H11BrF3N3O3 MolecularWeight: 394.14395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])[NH2+]C1=NC(=NC2=C1C=C(C=C2)Br)C(F)(F)F)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])[NH2+]C1=NC(=NC2=C1C=C(C=C2)Br)C(F)(F)F)O

InChI

InChI=1S/C13H11BrF3N3O3/c1-5(21)9(11(22)23)19-10-7-4-6(14)2-3-8(7)18-12(20-10)13(15,16)17/h2-5,9,21H,1H3,(H,22,23)(H,18,19,20)/t5-,9-/m0/s1