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

Systemtic Name: 6-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]hexanoate Openeye Name: 6-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]hexanoate CAS Name: 6-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]hexanoate IUPAC Name: 6-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]hexanoate Traditional Name: 6-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]hexanoate Formula: C15H14BrF3N3O2- MolecularWeight: 405.18977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrF3N3O2/c16-9-5-6-11-10(8-9)13(22-14(21-11)15(17,18)19)20-7-3-1-2-4-12(23)24/h5-6,8H,1-4,7H2,(H,23,24)(H,20,21,22)/p-1