2-azanyl-9-[(1S)-2-(azanylideneazaniumylideneamino)-1-[(2R)-1-fluoranyl-3-oxidanyl-propan-2-yl]oxy-ethyl]purin-6-olate

Systemtic Name: 2-azanyl-9-[(1S)-2-(azanylideneazaniumylideneamino)-1-[(2R)-1-fluoranyl-3-oxidanyl-propan-2-yl]oxy-ethyl]purin-6-olate Openeye Name: 2-amino-9-[(1S)-1-[(1R)-1-(fluoromethyl)-2-hydroxy-ethoxy]-2-(iminoiminioamino)ethyl]purin-6-olate CAS Name: 2-amino-9-[(1S)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxy-2-(iminoiminioamino)ethyl]-6-purinolate IUPAC Name: 2-amino-9-[(1S)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxy-2-(iminoazaniumylideneamino)ethyl]purin-6-olate Traditional Name: 2-amino-9-[(1S)-1-[(1R)-1-(fluoromethyl)-2-hydroxy-ethoxy]-2-(iminoiminioamino)ethyl]purin-6-olate Formula: C10H13FN8O3 MolecularWeight: 312.260423

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C(CN=[N+]=N)OC(CO)CF)N=C(N=C2[O-])N

Isomeric SMILES

C1=NC2=C(N1[C@H](CN=[N+]=N)O[C@H](CO)CF)N=C(N=C2[O-])N

InChI

InChI=1S/C10H13FN8O3/c11-1-5(3-20)22-6(2-15-18-13)19-4-14-7-8(19)16-10(12)17-9(7)21/h4-6,13,20H,1-3H2,(H2-,12,16,17,21)/t5-,6-/m0/s1