3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(4-methylpiperazin-1-yl)propanamide

Systemtic Name: 3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(4-methylpiperazin-1-yl)propanamide Openeye Name: 3-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(4-methylpiperazin-1-yl)propanamide CAS Name: 3-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(4-methyl-1-piperazinyl)propanamide IUPAC Name: 3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(4-methylpiperazin-1-yl)propanamide Traditional Name: 3-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-(4-methylpiperazino)propionamide Formula: C17H20F3N5O2S MolecularWeight: 415.43321

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

Isomeric SMILES

CN1CCN(CC1)NC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

InChI

InChI=1S/C17H20F3N5O2S/c1-24-5-7-25(8-6-24)23-15(26)4-10-28-16-21-12(13-3-2-9-27-13)11-14(22-16)17(18,19)20/h2-3,9,11H,4-8,10H2,1H3,(H,23,26)