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

Systemtic Name: 2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]-methyl-amino]ethanoate Openeye Name: 2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]-methylamino]acetate IUPAC Name: 2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]-methyl-amino]acetate Formula: C12H8BrF3N3O2- MolecularWeight: 363.11003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9BrF3N3O2/c1-19(5-9(20)21)10-7-4-6(13)2-3-8(7)17-11(18-10)12(14,15)16/h2-4H,5H2,1H3,(H,20,21)/p-1