3-[(4-azanylquinazolin-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-azanylquinazolin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4-aminoquinazolin-2-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(4-amino-2-quinazolinyl)methylthio]propanoic acid IUPAC Name: 3-[(4-aminoquinazolin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-aminoquinazolin-2-yl)methylthio]propionic acid Formula: C12H13N3O2S MolecularWeight: 263.31552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)CSCCC(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)CSCCC(=O)O)N

InChI

InChI=1S/C12H13N3O2S/c13-12-8-3-1-2-4-9(8)14-10(15-12)7-18-6-5-11(16)17/h1-4H,5-7H2,(H,16,17)(H2,13,14,15)