3-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]propanoate

Systemtic Name: 3-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]propanoate Openeye Name: 3-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propanoate CAS Name: 3-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]propanoate IUPAC Name: 3-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propanoate Traditional Name: 3-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propionate Formula: C12H8BrF3N3O2- MolecularWeight: 363.11003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=NC(=N2)C(F)(F)F)NCCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=NC(=N2)C(F)(F)F)NCCC(=O)[O-]

InChI

InChI=1S/C12H9BrF3N3O2/c13-6-1-2-8-7(5-6)10(17-4-3-9(20)21)19-11(18-8)12(14,15)16/h1-2,5H,3-4H2,(H,20,21)(H,17,18,19)/p-1