2-(4,6-dimethylquinazolin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(4,6-dimethylquinazolin-2-yl)sulfanylethanoic acid Openeye Name: 2-(4,6-dimethylquinazolin-2-yl)sulfanylacetic acid CAS Name: 2-[(4,6-dimethyl-2-quinazolinyl)thio]acetic acid IUPAC Name: 2-(4,6-dimethylquinazolin-2-yl)sulfanylacetic acid Traditional Name: 2-[(4,6-dimethylquinazolin-2-yl)thio]acetic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2C)SCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2C)SCC(=O)O

InChI

InChI=1S/C12H12N2O2S/c1-7-3-4-10-9(5-7)8(2)13-12(14-10)17-6-11(15)16/h3-5H,6H2,1-2H3,(H,15,16)