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

Systemtic Name: (2S)-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-(methylthio)butyric acid Formula: C14H13BrF3N3O2S MolecularWeight: 424.23613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrF3N3O2S/c1-24-5-4-10(12(22)23)19-11-8-6-7(15)2-3-9(8)20-13(21-11)14(16,17)18/h2-3,6,10H,4-5H2,1H3,(H,22,23)(H,19,20,21)/t10-/m0/s1