5-[[4-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(1-pyrrolidinyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-pyrrolidino-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C15H14F3N3O3S MolecularWeight: 373.35017

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=C2)C(F)(F)F)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=C2)C(F)(F)F)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C15H14F3N3O3S/c16-15(17,18)11-7-12(21-5-1-2-6-21)20-14(19-11)25-8-9-3-4-10(24-9)13(22)23/h3-4,7H,1-2,5-6,8H2,(H,22,23)