(2S)-2-azaniumyl-3-(6-bromanylquinazolin-4-yl)sulfanyl-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(6-bromanylquinazolin-4-yl)sulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-(6-bromoquinazolin-4-yl)sulfanyl-propanoate CAS Name: (2S)-2-ammonio-3-[(6-bromo-4-quinazolinyl)thio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-(6-bromoquinazolin-4-yl)sulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-[(6-bromoquinazolin-4-yl)thio]propionate Formula: C11H10BrN3O2S MolecularWeight: 328.185

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=NC=N2)SCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=NC=N2)SC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H10BrN3O2S/c12-6-1-2-9-7(3-6)10(15-5-14-9)18-4-8(13)11(16)17/h1-3,5,8H,4,13H2,(H,16,17)/t8-/m1/s1