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

Systemtic Name: 2-azanyl-3-[(4-azanylquinazolin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(4-aminoquinazolin-2-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(4-amino-2-quinazolinyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(4-aminoquinazolin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(4-aminoquinazolin-2-yl)methylthio]propionic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O2S/c13-8(12(17)18)5-19-6-10-15-9-4-2-1-3-7(9)11(14)16-10/h1-4,8H,5-6,13H2,(H,17,18)(H2,14,15,16)