(2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]ammonio]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]-4-(methylthio)butyrate Formula: C16H18F3N3O4S MolecularWeight: 405.39203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)[NH2+]C(CCSC)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)[NH2+][C@H](CCSC)C(=O)[O-])OC

InChI

InChI=1S/C16H18F3N3O4S/c1-25-11-6-8-10(7-12(11)26-2)21-15(16(17,18)19)22-13(8)20-9(14(23)24)4-5-27-3/h6-7,9H,4-5H2,1-3H3,(H,23,24)(H,20,21,22)/t9-/m1/s1