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

Systemtic Name: [3-[1-(2-azanyl-6-phenylazanyl-purin-9-yl)propan-2-yloxy]-1,1,1,5,5,5-hexakis(fluoranyl)pentan-3-yl]phosphonic acid Openeye Name: [1-[2-(2-amino-6-anilino-purin-9-yl)-1-methyl-ethoxy]-3,3,3-trifluoro-1-(2,2,2-trifluoroethyl)propyl]phosphonic acid CAS Name: [3-[1-(2-amino-6-anilino-9-purinyl)propan-2-yloxy]-1,1,1,5,5,5-hexafluoropentan-3-yl]phosphonic acid IUPAC Name: [3-[1-(2-amino-6-anilinopurin-9-yl)propan-2-yloxy]-1,1,1,5,5,5-hexafluoropentan-3-yl]phosphonic acid Traditional Name: [1-[2-(2-amino-6-anilino-purin-9-yl)-1-methyl-ethoxy]-3,3,3-trifluoro-1-(2,2,2-trifluoroethyl)propyl]phosphonic acid Formula: C19H21F6N6O4P MolecularWeight: 542.37202

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=C(N=C2NC3=CC=CC=C3)N)OC(CC(F)(F)F)(CC(F)(F)F)P(=O)(O)O

Isomeric SMILES

CC(CN1C=NC2=C1N=C(N=C2NC3=CC=CC=C3)N)OC(CC(F)(F)F)(CC(F)(F)F)P(=O)(O)O

InChI

InChI=1S/C19H21F6N6O4P/c1-11(35-17(36(32,33)34,8-18(20,21)22)9-19(23,24)25)7-31-10-27-13-14(29-16(26)30-15(13)31)28-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3,(H2,32,33,34)(H3,26,28,29,30)