3-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid

Systemtic Name: 3-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid Openeye Name: 3-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid CAS Name: 3-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]thio]propanoic acid IUPAC Name: 3-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid Traditional Name: 3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]thio]propionic acid Formula: C14H13F3N2O4S MolecularWeight: 362.32423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCCC(=O)O)OC

InChI

InChI=1S/C14H13F3N2O4S/c1-22-9-5-7-8(6-10(9)23-2)18-13(14(15,16)17)19-12(7)24-4-3-11(20)21/h5-6H,3-4H2,1-2H3,(H,20,21)