2-[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(cyanomethyl)-4-oxo-quinazolin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(cyanomethyl)-4-oxo-2-quinazolinyl]thio]acetic acid IUPAC Name: 2-[3-(cyanomethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-(cyanomethyl)-4-keto-quinazolin-2-yl]thio]acetic acid Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O3S/c13-5-6-15-11(18)8-3-1-2-4-9(8)14-12(15)19-7-10(16)17/h1-4H,6-7H2,(H,16,17)