(2S)-2-(6-bromanylquinazolin-4-yl)sulfanylpropanoic acid

Systemtic Name: (2S)-2-(6-bromanylquinazolin-4-yl)sulfanylpropanoic acid Openeye Name: (2S)-2-(6-bromoquinazolin-4-yl)sulfanylpropanoic acid CAS Name: (2S)-2-[(6-bromo-4-quinazolinyl)thio]propanoic acid IUPAC Name: (2S)-2-(6-bromoquinazolin-4-yl)sulfanylpropanoic acid Traditional Name: (2S)-2-[(6-bromoquinazolin-4-yl)thio]propionic acid Formula: C11H9BrN2O2S MolecularWeight: 313.17036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC=NC2=C1C=C(C=C2)Br

Isomeric SMILES

C[C@@H](C(=O)O)SC1=NC=NC2=C1C=C(C=C2)Br

InChI

InChI=1S/C11H9BrN2O2S/c1-6(11(15)16)17-10-8-4-7(12)2-3-9(8)13-5-14-10/h2-6H,1H3,(H,15,16)/t6-/m0/s1