2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethanoate

Systemtic Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethanoate Openeye Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetate CAS Name: 2-[(4,6,7-trimethyl-2-quinazolinyl)thio]acetate IUPAC Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6,7-trimethylquinazolin-2-yl)thio]acetate Formula: C13H13N2O2S- MolecularWeight: 261.31952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)SCC(=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)SCC(=O)[O-])C)C

InChI

InChI=1S/C13H14N2O2S/c1-7-4-10-9(3)14-13(18-6-12(16)17)15-11(10)5-8(7)2/h4-5H,6H2,1-3H3,(H,16,17)/p-1