2-(3-azanyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-azanyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoic acid Openeye Name: 2-(3-amino-4-oxo-quinazolin-2-yl)sulfanylacetic acid CAS Name: 2-[(3-amino-4-oxo-2-quinazolinyl)thio]acetic acid IUPAC Name: 2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-amino-4-keto-quinazolin-2-yl)thio]acetic acid Formula: C10H9N3O3S MolecularWeight: 251.26176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)O)N

InChI

InChI=1S/C10H9N3O3S/c11-13-9(16)6-3-1-2-4-7(6)12-10(13)17-5-8(14)15/h1-4H,5,11H2,(H,14,15)