9-[[1-[1,1,1,5,5,5-hexakis(fluoranyl)-3-phosphonato-pentan-3-yl]oxycyclopropyl]methyl]purin-6-amine

Systemtic Name: 9-[[1-[1,1,1,5,5,5-hexakis(fluoranyl)-3-phosphonato-pentan-3-yl]oxycyclopropyl]methyl]purin-6-amine Openeye Name: 9-[[1-[3,3,3-trifluoro-1-phosphonato-1-(2,2,2-trifluoroethyl)propoxy]cyclopropyl]methyl]purin-6-amine CAS Name: 9-[[1-(1,1,1,5,5,5-hexafluoro-3-phosphonatopentan-3-yl)oxycyclopropyl]methyl]-6-purinamine IUPAC Name: 9-[[1-(1,1,1,5,5,5-hexafluoro-3-phosphonatopentan-3-yl)oxycyclopropyl]methyl]purin-6-amine Traditional Name: [9-[[1-[3,3,3-trifluoro-1-phosphonato-1-(2,2,2-trifluoroethyl)propoxy]cyclopropyl]methyl]purin-6-yl]amine Formula: C14H14F6N5O4P-2 MolecularWeight: 461.25624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CN2C=NC3=C2N=CN=C3N)OC(CC(F)(F)F)(CC(F)(F)F)P(=O)([O-])[O-]

Isomeric SMILES

C1CC1(CN2C=NC3=C2N=CN=C3N)OC(CC(F)(F)F)(CC(F)(F)F)P(=O)([O-])[O-]

InChI

InChI=1S/C14H16F6N5O4P/c15-13(16,17)3-12(30(26,27)28,4-14(18,19)20)29-11(1-2-11)5-25-7-24-8-9(21)22-6-23-10(8)25/h6-7H,1-5H2,(H2,21,22,23)(H2,26,27,28)/p-2