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

Systemtic Name: (2S)-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-oxidanyl-propanoate Openeye Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]ammonio]-3-hydroxy-propanoate CAS Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]ammonio]-3-hydroxypropanoate IUPAC Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-hydroxypropanoate Traditional Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]ammonio]-3-hydroxy-propionate Formula: C12H9BrF3N3O3 MolecularWeight: 380.11737

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=NC(=N2)C(F)(F)F)[NH2+]C(CO)C(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=NC(=N2)C(F)(F)F)[NH2+][C@@H](CO)C(=O)[O-]

InChI

InChI=1S/C12H9BrF3N3O3/c13-5-1-2-7-6(3-5)9(17-8(4-20)10(21)22)19-11(18-7)12(14,15)16/h1-3,8,20H,4H2,(H,21,22)(H,17,18,19)/t8-/m0/s1