N'-methylsulfonyl-5-[4-[[N'-[2,2,2-tris(fluoranyl)ethyl]carbamimidoyl]amino]pyrimidin-2-yl]pentanimidamide

Systemtic Name: N'-methylsulfonyl-5-[4-[[N'-[2,2,2-tris(fluoranyl)ethyl]carbamimidoyl]amino]pyrimidin-2-yl]pentanimidamide Openeye Name: N'-methylsulfonyl-5-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]pentanamidine CAS Name: 5-[4-[[amino(2,2,2-trifluoroethylimino)methyl]amino]-2-pyrimidinyl]-N'-methylsulfonylpentanimidamide IUPAC Name: N'-methylsulfonyl-5-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]pentanimidamide Traditional Name: N'-mesyl-5-[4-[[N'-(2,2,2-trifluoroethyl)amidino]amino]pyrimidin-2-yl]valeramidine Formula: C13H20F3N7O2S MolecularWeight: 395.40381

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N=C(CCCCC1=NC=CC(=N1)NC(=NCC(F)(F)F)N)N

Isomeric SMILES

CS(=O)(=O)/N=C(/CCCCC1=NC=CC(=N1)NC(=NCC(F)(F)F)N)\N

InChI

InChI=1S/C13H20F3N7O2S/c1-26(24,25)23-9(17)4-2-3-5-10-19-7-6-11(21-10)22-12(18)20-8-13(14,15)16/h6-7H,2-5,8H2,1H3,(H2,17,23)(H3,18,19,20,21,22)