9-[[1-[1,1,1,5,5,5-hexakis(fluoranyl)-3-phosphonato-pentan-3-yl]oxycyclopropyl]methyl]-N6,N6-dimethyl-purine-2,6-diamine

Systemtic Name: 9-[[1-[1,1,1,5,5,5-hexakis(fluoranyl)-3-phosphonato-pentan-3-yl]oxycyclopropyl]methyl]-N6,N6-dimethyl-purine-2,6-diamine Openeye Name: N6,N6-dimethyl-9-[[1-[3,3,3-trifluoro-1-phosphonato-1-(2,2,2-trifluoroethyl)propoxy]cyclopropyl]methyl]purine-2,6-diamine CAS Name: 9-[[1-(1,1,1,5,5,5-hexafluoro-3-phosphonatopentan-3-yl)oxycyclopropyl]methyl]-N6,N6-dimethylpurine-2,6-diamine IUPAC Name: 9-[[1-(1,1,1,5,5,5-hexafluoro-3-phosphonatopentan-3-yl)oxycyclopropyl]methyl]-6-N,6-N-dimethylpurine-2,6-diamine Traditional Name: [2-amino-9-[[1-[3,3,3-trifluoro-1-phosphonato-1-(2,2,2-trifluoroethyl)propoxy]cyclopropyl]methyl]purin-6-yl]-dimethyl-amine Formula: C16H19F6N6O4P-2 MolecularWeight: 504.32404

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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)/p-2