(2S)-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-methyl-butyric acid Formula: C14H13BrF3N3O2 MolecularWeight: 392.17113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrF3N3O2/c1-6(2)10(12(22)23)20-11-8-5-7(15)3-4-9(8)19-13(21-11)14(16,17)18/h3-6,10H,1-2H3,(H,22,23)(H,19,20,21)/t10-/m0/s1