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

Systemtic Name: [3-[2-[2-azanyl-6-(dimethylamino)purin-9-yl]ethoxy]-1,1,1,5,5,5-hexakis(fluoranyl)pentan-3-yl]phosphonic acid Openeye Name: [1-[2-[2-amino-6-(dimethylamino)purin-9-yl]ethoxy]-3,3,3-trifluoro-1-(2,2,2-trifluoroethyl)propyl]phosphonic acid CAS Name: [3-[2-[2-amino-6-(dimethylamino)-9-purinyl]ethoxy]-1,1,1,5,5,5-hexafluoropentan-3-yl]phosphonic acid IUPAC Name: [3-[2-[2-amino-6-(dimethylamino)purin-9-yl]ethoxy]-1,1,1,5,5,5-hexafluoropentan-3-yl]phosphonic acid Traditional Name: [1-[2-[2-amino-6-(dimethylamino)purin-9-yl]ethoxy]-3,3,3-trifluoro-1-(2,2,2-trifluoroethyl)propyl]phosphonic acid Formula: C14H19F6N6O4P MolecularWeight: 480.30264

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=C1N=CN2CCOC(CC(F)(F)F)(CC(F)(F)F)P(=O)(O)O)N

Isomeric SMILES

CN(C)C1=NC(=NC2=C1N=CN2CCOC(CC(F)(F)F)(CC(F)(F)F)P(=O)(O)O)N

InChI

InChI=1S/C14H19F6N6O4P/c1-25(2)9-8-10(24-11(21)23-9)26(7-22-8)3-4-30-12(31(27,28)29,5-13(15,16)17)6-14(18,19)20/h7H,3-6H2,1-2H3,(H2,21,23,24)(H2,27,28,29)