(2R)-3-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropane-1,2-diol

Systemtic Name: (2R)-3-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropane-1,2-diol Openeye Name: (2R)-3-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropane-1,2-diol CAS Name: (2R)-3-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]thio]propane-1,2-diol IUPAC Name: (2R)-3-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropane-1,2-diol Traditional Name: (2R)-3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]thio]propane-1,2-diol Formula: C14H15F3N2O4S MolecularWeight: 364.34011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)SC[C@@H](CO)O)OC

InChI

InChI=1S/C14H15F3N2O4S/c1-22-10-3-8-9(4-11(10)23-2)18-13(14(15,16)17)19-12(8)24-6-7(21)5-20/h3-4,7,20-21H,5-6H2,1-2H3/t7-/m1/s1