(2R)-4-azanyl-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-azanyl-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-amino-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-oxo-butanoate CAS Name: (2R)-4-amino-2-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]-4-oxobutanoate IUPAC Name: (2R)-4-amino-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-oxobutanoate Traditional Name: (2R)-4-amino-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-keto-butyrate Formula: C15H14F3N4O5- MolecularWeight: 387.29067

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC(CC(=O)N)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)N[C@H](CC(=O)N)C(=O)[O-])OC

InChI

InChI=1S/C15H15F3N4O5/c1-26-9-3-6-7(4-10(9)27-2)21-14(15(16,17)18)22-12(6)20-8(13(24)25)5-11(19)23/h3-4,8H,5H2,1-2H3,(H2,19,23)(H,24,25)(H,20,21,22)/p-1/t8-/m1/s1