5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(diethylamino)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C15H16F3N3O3S MolecularWeight: 375.36605

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C(F)(F)F)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C(F)(F)F)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C15H16F3N3O3S/c1-3-21(4-2)12-7-11(15(16,17)18)19-14(20-12)25-8-9-5-6-10(24-9)13(22)23/h5-7H,3-4,8H2,1-2H3,(H,22,23)