(2S)-2-[(6-bromanylquinazolin-4-yl)azaniumyl]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(6-bromanylquinazolin-4-yl)azaniumyl]-3-methyl-butanoate Openeye Name: (2S)-2-[(6-bromoquinazolin-4-yl)ammonio]-3-methyl-butanoate CAS Name: (2S)-2-[(6-bromo-4-quinazolinyl)ammonio]-3-methylbutanoate IUPAC Name: (2S)-2-[(6-bromoquinazolin-4-yl)azaniumyl]-3-methylbutanoate Traditional Name: (2S)-2-[(6-bromoquinazolin-4-yl)ammonio]-3-methyl-butyrate Formula: C13H14BrN3O2 MolecularWeight: 324.17316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrN3O2/c1-7(2)11(13(18)19)17-12-9-5-8(14)3-4-10(9)15-6-16-12/h3-7,11H,1-2H3,(H,18,19)(H,15,16,17)/t11-/m0/s1