3-sulfanyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanoic acid

Systemtic Name: 3-sulfanyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanoic acid Openeye Name: 3-sulfanyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanoic acid CAS Name: 3-mercapto-2-[[2-(trifluoromethyl)-4-quinazolinyl]amino]propanoic acid IUPAC Name: 3-sulfanyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanoic acid Traditional Name: 3-mercapto-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propionic acid Formula: C12H10F3N3O2S MolecularWeight: 317.28691

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC(CS)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC(CS)C(=O)O

InChI

InChI=1S/C12H10F3N3O2S/c13-12(14,15)11-17-7-4-2-1-3-6(7)9(18-11)16-8(5-21)10(19)20/h1-4,8,21H,5H2,(H,19,20)(H,16,17,18)