N-(pyridin-3-ylmethyl)-5-[[4-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide

Systemtic Name: N-(pyridin-3-ylmethyl)-5-[[4-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: N-(3-pyridylmethyl)-5-[[4-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: N-(3-pyridinylmethyl)-5-[[[4-(1-pyrrolidinyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-(pyridin-3-ylmethyl)-5-[[4-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Traditional Name: N-(3-pyridylmethyl)-5-[[[4-pyrrolidino-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-2-furamide Formula: C21H20F3N5O2S MolecularWeight: 463.47601

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=C2)C(F)(F)F)SCC3=CC=C(O3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=C2)C(F)(F)F)SCC3=CC=C(O3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C21H20F3N5O2S/c22-21(23,24)17-10-18(29-8-1-2-9-29)28-20(27-17)32-13-15-5-6-16(31-15)19(30)26-12-14-4-3-7-25-11-14/h3-7,10-11H,1-2,8-9,12-13H2,(H,26,30)