[6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-2-[2,2,2-tris(fluoranyl)ethanoyloxy]hexyl] 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-2-[2,2,2-tris(fluoranyl)ethanoyloxy]hexyl] 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [6-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-2-(2,2,2-trifluoroacetyl)oxy-hexyl] 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid [6-(3,7-dimethyl-2,6-dioxo-1-purinyl)-2-(2,2,2-trifluoro-1-oxoethoxy)hexyl] ester IUPAC Name: [6-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-(2,2,2-trifluoroacetyl)oxyhexyl] 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid [6-(2,6-diketo-3,7-dimethyl-purin-1-yl)-2-(2,2,2-trifluoroacetyl)oxy-hexyl] ester Formula: C17H18F6N4O6 MolecularWeight: 488.338439

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(COC(=O)C(F)(F)F)OC(=O)C(F)(F)F

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(COC(=O)C(F)(F)F)OC(=O)C(F)(F)F

InChI

InChI=1S/C17H18F6N4O6/c1-25-8-24-11-10(25)12(28)27(15(31)26(11)2)6-4-3-5-9(33-14(30)17(21,22)23)7-32-13(29)16(18,19)20/h8-9H,3-7H2,1-2H3