(2S)-2-[(6-bromanylquinazolin-4-yl)azaniumyl]butanedioate

Systemtic Name: (2S)-2-[(6-bromanylquinazolin-4-yl)azaniumyl]butanedioate Openeye Name: (2S)-2-[(6-bromoquinazolin-4-yl)ammonio]butanedioate CAS Name: (2S)-2-[(6-bromo-4-quinazolinyl)ammonio]butanedioate IUPAC Name: (2S)-2-[(6-bromoquinazolin-4-yl)azaniumyl]butanedioate Traditional Name: (2S)-2-[(6-bromoquinazolin-4-yl)ammonio]succinate Formula: C12H9BrN3O4- MolecularWeight: 339.12156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=NC=N2)[NH2+]C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=NC=N2)[NH2+][C@@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H10BrN3O4/c13-6-1-2-8-7(3-6)11(15-5-14-8)16-9(12(19)20)4-10(17)18/h1-3,5,9H,4H2,(H,17,18)(H,19,20)(H,14,15,16)/p-1/t9-/m0/s1