2-[[[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]-methyl-azaniumyl]methyl]-7-(trifluoromethyl)quinazolin-4-olate

Systemtic Name: 2-[[[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]-methyl-azaniumyl]methyl]-7-(trifluoromethyl)quinazolin-4-olate Openeye Name: 2-[[[2-(2-methoxyethylamino)-2-oxo-ethyl]-methyl-ammonio]methyl]-7-(trifluoromethyl)quinazolin-4-olate CAS Name: 2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylammonio]methyl]-7-(trifluoromethyl)-4-quinazolinolate IUPAC Name: 2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylazaniumyl]methyl]-7-(trifluoromethyl)quinazolin-4-olate Traditional Name: 2-[[[2-keto-2-(2-methoxyethylamino)ethyl]-methyl-ammonio]methyl]-7-(trifluoromethyl)quinazolin-4-olate Formula: C16H19F3N4O3 MolecularWeight: 372.34227

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=N1)[O-])CC(=O)NCCOC

Isomeric SMILES

C[NH+](CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=N1)[O-])CC(=O)NCCOC

InChI

InChI=1S/C16H19F3N4O3/c1-23(9-14(24)20-5-6-26-2)8-13-21-12-7-10(16(17,18)19)3-4-11(12)15(25)22-13/h3-4,7H,5-6,8-9H2,1-2H3,(H,20,24)(H,21,22,25)