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

Systemtic Name: [3-[2-(2-azanyl-1-methyl-6-oxidanylidene-purin-9-yl)ethoxy]-1,1,1,5,5,5-hexakis(fluoranyl)pentan-3-yl]phosphonic acid Openeye Name: [1-[2-(2-amino-1-methyl-6-oxo-purin-9-yl)ethoxy]-3,3,3-trifluoro-1-(2,2,2-trifluoroethyl)propyl]phosphonic acid CAS Name: [3-[2-(2-amino-1-methyl-6-oxo-9-purinyl)ethoxy]-1,1,1,5,5,5-hexafluoropentan-3-yl]phosphonic acid IUPAC Name: [3-[2-(2-amino-1-methyl-6-oxopurin-9-yl)ethoxy]-1,1,1,5,5,5-hexafluoropentan-3-yl]phosphonic acid Traditional Name: [1-[2-(2-amino-6-keto-1-methyl-purin-9-yl)ethoxy]-3,3,3-trifluoro-1-(2,2,2-trifluoroethyl)propyl]phosphonic acid Formula: C13H16F6N5O5P MolecularWeight: 467.26082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1N)N(C=N2)CCOC(CC(F)(F)F)(CC(F)(F)F)P(=O)(O)O

Isomeric SMILES

CN1C(=O)C2=C(N=C1N)N(C=N2)CCOC(CC(F)(F)F)(CC(F)(F)F)P(=O)(O)O

InChI

InChI=1S/C13H16F6N5O5P/c1-23-9(25)7-8(22-10(23)20)24(6-21-7)2-3-29-11(30(26,27)28,4-12(14,15)16)5-13(17,18)19/h6H,2-5H2,1H3,(H2,20,22)(H2,26,27,28)