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

Systemtic Name: 5-[[4-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(4-ethyl-1-piperazinyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(4-ethylpiperazino)-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C17H19F3N4O3S MolecularWeight: 416.41797

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC(=C2)C(F)(F)F)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2)C(F)(F)F)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C17H19F3N4O3S/c1-2-23-5-7-24(8-6-23)14-9-13(17(18,19)20)21-16(22-14)28-10-11-3-4-12(27-11)15(25)26/h3-4,9H,2,5-8,10H2,1H3,(H,25,26)