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

Systemtic Name: 5-[[4-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-furan-2-carboxamide Openeye Name: 5-[[4-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-furan-2-carboxamide CAS Name: 5-[[[4-(4-ethyl-1-piperazinyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-N-propan-2-yl-2-furancarboxamide IUPAC Name: 5-[[4-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide Traditional Name: 5-[[[4-(4-ethylpiperazino)-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-N-isopropyl-2-furamide Formula: C20H26F3N5O2S MolecularWeight: 457.51295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26F3N5O2S/c1-4-27-7-9-28(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(2)3/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,24,29)