(2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]ammonio]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]-4-(methylthio)butyrate Formula: C15H16F3N3O3S MolecularWeight: 375.36605

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)[NH2+]C(CCSC)C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)[NH2+][C@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C15H16F3N3O3S/c1-24-8-3-4-9-11(7-8)20-14(15(16,17)18)21-12(9)19-10(13(22)23)5-6-25-2/h3-4,7,10H,5-6H2,1-2H3,(H,22,23)(H,19,20,21)/t10-/m1/s1