3-(2-methylquinazolin-4-yl)sulfanylpropanoic acid

Systemtic Name: 3-(2-methylquinazolin-4-yl)sulfanylpropanoic acid Openeye Name: 3-(2-methylquinazolin-4-yl)sulfanylpropanoic acid CAS Name: 3-[(2-methyl-4-quinazolinyl)thio]propanoic acid IUPAC Name: 3-(2-methylquinazolin-4-yl)sulfanylpropanoic acid Traditional Name: 3-[(2-methylquinazolin-4-yl)thio]propionic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCCC(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCCC(=O)O

InChI

InChI=1S/C12H12N2O2S/c1-8-13-10-5-3-2-4-9(10)12(14-8)17-7-6-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)