3-[2-methylpropyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanoic acid

Systemtic Name: 3-[2-methylpropyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanoic acid Openeye Name: 3-[isobutyl-[2-(2-thienyl)quinazolin-4-yl]amino]propanoic acid CAS Name: 3-[2-methylpropyl-(2-thiophen-2-yl-4-quinazolinyl)amino]propanoic acid IUPAC Name: 3-[2-methylpropyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanoic acid Traditional Name: 3-[isobutyl-[2-(2-thienyl)quinazolin-4-yl]amino]propionic acid Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC(=O)O)C1=NC(=NC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

CC(C)CN(CCC(=O)O)C1=NC(=NC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C19H21N3O2S/c1-13(2)12-22(10-9-17(23)24)19-14-6-3-4-7-15(14)20-18(21-19)16-8-5-11-25-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,24)