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

Systemtic Name: (2S)-2-[(6-bromanylquinazolin-4-yl)azaniumyl]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(6-bromoquinazolin-4-yl)ammonio]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(6-bromo-4-quinazolinyl)ammonio]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(6-bromoquinazolin-4-yl)azaniumyl]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(6-bromoquinazolin-4-yl)ammonio]-4-(methylthio)butyrate Formula: C13H14BrN3O2S MolecularWeight: 356.23816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrN3O2S/c1-20-5-4-11(13(18)19)17-12-9-6-8(14)2-3-10(9)15-7-16-12/h2-3,6-7,11H,4-5H2,1H3,(H,18,19)(H,15,16,17)/t11-/m0/s1