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

Systemtic Name: 5-[[4-(4-ethanoylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(4-acetylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(4-acetyl-1-piperazinyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(4-acetylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(4-acetylpiperazino)-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C17H17F3N4O4S MolecularWeight: 430.40149

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C(F)(F)F)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C(F)(F)F)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C17H17F3N4O4S/c1-10(25)23-4-6-24(7-5-23)14-8-13(17(18,19)20)21-16(22-14)29-9-11-2-3-12(28-11)15(26)27/h2-3,8H,4-7,9H2,1H3,(H,26,27)