(2S,3S)-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]ammonio]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]ammonio]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]ammonio]-3-methyl-valerate Formula: C15H15BrF3N3O2 MolecularWeight: 406.19771

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])[NH2+]C1=NC(=NC2=C1C=C(C=C2)Br)C(F)(F)F

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])[NH2+]C1=NC(=NC2=C1C=C(C=C2)Br)C(F)(F)F

InChI

InChI=1S/C15H15BrF3N3O2/c1-3-7(2)11(13(23)24)21-12-9-6-8(16)4-5-10(9)20-14(22-12)15(17,18)19/h4-7,11H,3H2,1-2H3,(H,23,24)(H,20,21,22)/t7-,11-/m0/s1