(2S)-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]butanoic acid

Systemtic Name: (2S)-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]butanoic acid Openeye Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]butanoic acid CAS Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]butanoic acid IUPAC Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]butanoic acid Traditional Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]butyric acid Formula: C13H11BrF3N3O2 MolecularWeight: 378.14455

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC1=NC(=NC2=C1C=C(C=C2)Br)C(F)(F)F

Isomeric SMILES

CC[C@@H](C(=O)O)NC1=NC(=NC2=C1C=C(C=C2)Br)C(F)(F)F

InChI

InChI=1S/C13H11BrF3N3O2/c1-2-8(11(21)22)18-10-7-5-6(14)3-4-9(7)19-12(20-10)13(15,16)17/h3-5,8H,2H2,1H3,(H,21,22)(H,18,19,20)/t8-/m0/s1