[3-[1-[[2-azanyl-6-(dimethylamino)purin-9-yl]methyl]cyclopropyl]oxy-1,1,1,5,5,5-hexakis(fluoranyl)pentan-3-yl]phosphonic acid

Systemtic Name: [3-[1-[[2-azanyl-6-(dimethylamino)purin-9-yl]methyl]cyclopropyl]oxy-1,1,1,5,5,5-hexakis(fluoranyl)pentan-3-yl]phosphonic acid Openeye Name: [1-[1-[[2-amino-6-(dimethylamino)purin-9-yl]methyl]cyclopropoxy]-3,3,3-trifluoro-1-(2,2,2-trifluoroethyl)propyl]phosphonic acid CAS Name: [3-[1-[[2-amino-6-(dimethylamino)-9-purinyl]methyl]cyclopropyl]oxy-1,1,1,5,5,5-hexafluoropentan-3-yl]phosphonic acid IUPAC Name: [3-[1-[[2-amino-6-(dimethylamino)purin-9-yl]methyl]cyclopropyl]oxy-1,1,1,5,5,5-hexafluoropentan-3-yl]phosphonic acid Traditional Name: [1-[1-[[2-amino-6-(dimethylamino)purin-9-yl]methyl]cyclopropoxy]-3,3,3-trifluoro-1-(2,2,2-trifluoroethyl)propyl]phosphonic acid Formula: C16H21F6N6O4P MolecularWeight: 506.33992

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=C1N=CN2CC3(CC3)OC(CC(F)(F)F)(CC(F)(F)F)P(=O)(O)O)N

Isomeric SMILES

CN(C)C1=NC(=NC2=C1N=CN2CC3(CC3)OC(CC(F)(F)F)(CC(F)(F)F)P(=O)(O)O)N

InChI

InChI=1S/C16H21F6N6O4P/c1-27(2)10-9-11(26-12(23)25-10)28(8-24-9)7-13(3-4-13)32-14(33(29,30)31,5-15(17,18)19)6-16(20,21)22/h8H,3-7H2,1-2H3,(H2,23,25,26)(H2,29,30,31)