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

Systemtic Name: (2S,3S)-2-[(6-bromanylquinazolin-4-yl)azaniumyl]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-2-[(6-bromoquinazolin-4-yl)ammonio]-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[(6-bromo-4-quinazolinyl)ammonio]-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-[(6-bromoquinazolin-4-yl)azaniumyl]-3-hydroxybutanoate Traditional Name: (2S,3S)-2-[(6-bromoquinazolin-4-yl)ammonio]-3-hydroxy-butyrate Formula: C12H12BrN3O3 MolecularWeight: 326.14598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrN3O3/c1-6(17)10(12(18)19)16-11-8-4-7(13)2-3-9(8)14-5-15-11/h2-6,10,17H,1H3,(H,18,19)(H,14,15,16)/t6-,10-/m0/s1