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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=NC2=CC=CC=C2C(=N1)N

Isomeric SMILES

CC(C(=O)O)SCC1=NC2=CC=CC=C2C(=N1)N

InChI

InChI=1S/C12H13N3O2S/c1-7(12(16)17)18-6-10-14-9-5-3-2-4-8(9)11(13)15-10/h2-5,7H,6H2,1H3,(H,16,17)(H2,13,14,15)