[3-[2-[2-azanyl-6-(dimethylamino)purin-9-yl]ethoxy]-1,1,1-tris(fluoranyl)nonan-3-yl]phosphonic acid

Systemtic Name: [3-[2-[2-azanyl-6-(dimethylamino)purin-9-yl]ethoxy]-1,1,1-tris(fluoranyl)nonan-3-yl]phosphonic acid Openeye Name: [1-[2-[2-amino-6-(dimethylamino)purin-9-yl]ethoxy]-1-(2,2,2-trifluoroethyl)heptyl]phosphonic acid CAS Name: [3-[2-[2-amino-6-(dimethylamino)-9-purinyl]ethoxy]-1,1,1-trifluorononan-3-yl]phosphonic acid IUPAC Name: [3-[2-[2-amino-6-(dimethylamino)purin-9-yl]ethoxy]-1,1,1-trifluorononan-3-yl]phosphonic acid Traditional Name: [1-[2-[2-amino-6-(dimethylamino)purin-9-yl]ethoxy]-1-(2,2,2-trifluoroethyl)heptyl]phosphonic acid Formula: C18H30F3N6O4P MolecularWeight: 482.437571

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(F)(F)F)(OCCN1C=NC2=C1N=C(N=C2N(C)C)N)P(=O)(O)O

Isomeric SMILES

CCCCCCC(CC(F)(F)F)(OCCN1C=NC2=C1N=C(N=C2N(C)C)N)P(=O)(O)O

InChI

InChI=1S/C18H30F3N6O4P/c1-4-5-6-7-8-17(32(28,29)30,11-18(19,20)21)31-10-9-27-12-23-13-14(26(2)3)24-16(22)25-15(13)27/h12H,4-11H2,1-3H3,(H2,22,24,25)(H2,28,29,30)