N-cyclopropyl-5-[[4-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide

Systemtic Name: N-cyclopropyl-5-[[4-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: N-cyclopropyl-5-[[4-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: N-cyclopropyl-5-[[[4-(4-ethyl-1-piperazinyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-cyclopropyl-5-[[4-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Traditional Name: N-cyclopropyl-5-[[[4-(4-ethylpiperazino)-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-2-furamide Formula: C20H24F3N5O2S MolecularWeight: 455.49707

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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)NC4CC4

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2)C(F)(F)F)SCC3=CC=C(O3)C(=O)NC4CC4

InChI

InChI=1S/C20H24F3N5O2S/c1-2-27-7-9-28(10-8-27)17-11-16(20(21,22)23)25-19(26-17)31-12-14-5-6-15(30-14)18(29)24-13-3-4-13/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,24,29)