3-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid

Systemtic Name: 3-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid Openeye Name: 3-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid CAS Name: 3-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]thio]propanoic acid IUPAC Name: 3-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid Traditional Name: 3-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]thio]propionic acid Formula: C13H11F3N2O2S MolecularWeight: 316.29885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2SCCC(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2SCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C13H11F3N2O2S/c1-7-2-3-9-8(6-7)11(21-5-4-10(19)20)18-12(17-9)13(14,15)16/h2-3,6H,4-5H2,1H3,(H,19,20)