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

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]acetic acid CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]acetic acid IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]acetic acid Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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