2-(2-methylquinazolin-4-yl)sulfanylbutanoic acid

Systemtic Name: 2-(2-methylquinazolin-4-yl)sulfanylbutanoic acid Openeye Name: 2-(2-methylquinazolin-4-yl)sulfanylbutanoic acid CAS Name: 2-[(2-methyl-4-quinazolinyl)thio]butanoic acid IUPAC Name: 2-(2-methylquinazolin-4-yl)sulfanylbutanoic acid Traditional Name: 2-[(2-methylquinazolin-4-yl)thio]butyric acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC(=NC2=CC=CC=C21)C

Isomeric SMILES

CCC(C(=O)O)SC1=NC(=NC2=CC=CC=C21)C

InChI

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