3-(2-propan-2-ylquinazolin-4-yl)sulfanylpropanoic acid

Systemtic Name: 3-(2-propan-2-ylquinazolin-4-yl)sulfanylpropanoic acid Openeye Name: 3-(2-isopropylquinazolin-4-yl)sulfanylpropanoic acid CAS Name: 3-[(2-propan-2-yl-4-quinazolinyl)thio]propanoic acid IUPAC Name: 3-(2-propan-2-ylquinazolin-4-yl)sulfanylpropanoic acid Traditional Name: 3-[(2-isopropylquinazolin-4-yl)thio]propionic acid Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=N1)SCCC(=O)O

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=N1)SCCC(=O)O

InChI

InChI=1S/C14H16N2O2S/c1-9(2)13-15-11-6-4-3-5-10(11)14(16-13)19-8-7-12(17)18/h3-6,9H,7-8H2,1-2H3,(H,17,18)