[1,1-bis(fluoranyl)-7-(6-oxidanylidene-3H-purin-9-yl)heptyl]phosphonic acid

Systemtic Name: [1,1-bis(fluoranyl)-7-(6-oxidanylidene-3H-purin-9-yl)heptyl]phosphonic acid Openeye Name: [1,1-difluoro-7-(6-oxo-3H-purin-9-yl)heptyl]phosphonic acid CAS Name: [1,1-difluoro-7-(6-oxo-3H-purin-9-yl)heptyl]phosphonic acid IUPAC Name: [1,1-difluoro-7-(6-oxo-3H-purin-9-yl)heptyl]phosphonic acid Traditional Name: [1,1-difluoro-7-(6-keto-3H-purin-9-yl)heptyl]phosphonic acid Formula: C12H17F2N4O4P MolecularWeight: 350.258347

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)CCCCCCC(F)(F)P(=O)(O)O

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)CCCCCCC(F)(F)P(=O)(O)O

InChI

InChI=1S/C12H17F2N4O4P/c13-12(14,23(20,21)22)5-3-1-2-4-6-18-8-17-9-10(18)15-7-16-11(9)19/h7-8H,1-6H2,(H,15,16,19)(H2,20,21,22)