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

Systemtic Name: (2S)-2-[(6-bromanylquinazolin-4-yl)azaniumyl]-3-oxidanyl-propanoate Openeye Name: (2S)-2-[(6-bromoquinazolin-4-yl)ammonio]-3-hydroxy-propanoate CAS Name: (2S)-2-[(6-bromo-4-quinazolinyl)ammonio]-3-hydroxypropanoate IUPAC Name: (2S)-2-[(6-bromoquinazolin-4-yl)azaniumyl]-3-hydroxypropanoate Traditional Name: (2S)-2-[(6-bromoquinazolin-4-yl)ammonio]-3-hydroxy-propionate Formula: C11H10BrN3O3 MolecularWeight: 312.1194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10BrN3O3/c12-6-1-2-8-7(3-6)10(14-5-13-8)15-9(4-16)11(17)18/h1-3,5,9,16H,4H2,(H,17,18)(H,13,14,15)/t9-/m0/s1