2-[2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]acetyl]amino]acetic acid Formula: C13H10BrF3N4O3 MolecularWeight: 407.14271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=NC(=N2)C(F)(F)F)NCC(=O)NCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=NC(=N2)C(F)(F)F)NCC(=O)NCC(=O)O

InChI

InChI=1S/C13H10BrF3N4O3/c14-6-1-2-8-7(3-6)11(21-12(20-8)13(15,16)17)19-4-9(22)18-5-10(23)24/h1-3H,4-5H2,(H,18,22)(H,23,24)(H,19,20,21)