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

Systemtic Name: [3-[1-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]cyclopropyl]oxy-1,1,1,5,5,5-hexakis(fluoranyl)pentan-3-yl]phosphonic acid Openeye Name: [1-[1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]cyclopropoxy]-3,3,3-trifluoro-1-(2,2,2-trifluoroethyl)propyl]phosphonic acid CAS Name: [3-[1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]cyclopropyl]oxy-1,1,1,5,5,5-hexafluoropentan-3-yl]phosphonic acid IUPAC Name: [3-[1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]cyclopropyl]oxy-1,1,1,5,5,5-hexafluoropentan-3-yl]phosphonic acid Traditional Name: [1-[1-[(2-amino-6-keto-3H-purin-9-yl)methyl]cyclopropoxy]-3,3,3-trifluoro-1-(2,2,2-trifluoroethyl)propyl]phosphonic acid Formula: C14H16F6N5O5P MolecularWeight: 479.27152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CN2C=NC3=C2NC(=NC3=O)N)OC(CC(F)(F)F)(CC(F)(F)F)P(=O)(O)O

Isomeric SMILES

C1CC1(CN2C=NC3=C2NC(=NC3=O)N)OC(CC(F)(F)F)(CC(F)(F)F)P(=O)(O)O

InChI

InChI=1S/C14H16F6N5O5P/c15-13(16,17)3-12(31(27,28)29,4-14(18,19)20)30-11(1-2-11)5-25-6-22-7-8(25)23-10(21)24-9(7)26/h6H,1-5H2,(H2,27,28,29)(H3,21,23,24,26)