[7-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-fluoranyl-heptan-2-yl]phosphonic acid

Systemtic Name: [7-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-fluoranyl-heptan-2-yl]phosphonic acid Openeye Name: [6-(2-amino-6-oxo-3H-purin-9-yl)-1-fluoro-1-methyl-hexyl]phosphonic acid CAS Name: [7-(2-amino-6-oxo-3H-purin-9-yl)-2-fluoroheptan-2-yl]phosphonic acid IUPAC Name: [7-(2-amino-6-oxo-3H-purin-9-yl)-2-fluoroheptan-2-yl]phosphonic acid Traditional Name: [6-(2-amino-6-keto-3H-purin-9-yl)-1-fluoro-1-methyl-hexyl]phosphonic acid Formula: C12H19FN5O4P MolecularWeight: 347.282524

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCN1C=NC2=C1NC(=NC2=O)N)(F)P(=O)(O)O

Isomeric SMILES

CC(CCCCCN1C=NC2=C1NC(=NC2=O)N)(F)P(=O)(O)O

InChI

InChI=1S/C12H19FN5O4P/c1-12(13,23(20,21)22)5-3-2-4-6-18-7-15-8-9(18)16-11(14)17-10(8)19/h7H,2-6H2,1H3,(H2,20,21,22)(H3,14,16,17,19)