(2S)-2-azaniumyl-3-quinazolin-4-ylsulfanyl-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-quinazolin-4-ylsulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-quinazolin-4-ylsulfanyl-propanoate CAS Name: (2S)-2-ammonio-3-(4-quinazolinylthio)propanoate IUPAC Name: (2S)-2-azaniumyl-3-quinazolin-4-ylsulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-(quinazolin-4-ylthio)propionate Formula: C11H11N3O2S MolecularWeight: 249.28894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H11N3O2S/c12-8(11(15)16)5-17-10-7-3-1-2-4-9(7)13-6-14-10/h1-4,6,8H,5,12H2,(H,15,16)/t8-/m1/s1