[(1E,3E)-4-(6-aminopurin-9-yl)-1-fluoranyl-buta-1,3-dienyl]phosphonic acid

Systemtic Name: [(1E,3E)-4-(6-aminopurin-9-yl)-1-fluoranyl-buta-1,3-dienyl]phosphonic acid Openeye Name: [(1E,3E)-4-(6-aminopurin-9-yl)-1-fluoro-buta-1,3-dienyl]phosphonic acid CAS Name: [(1E,3E)-4-(6-aminopurin-9-yl)-1-fluorobuta-1,3-dienyl]phosphonic acid IUPAC Name: [(1E,3E)-4-(6-aminopurin-9-yl)-1-fluorobuta-1,3-dienyl]phosphonic acid Traditional Name: [(1E,3E)-4-adenin-9-yl-1-fluoro-buta-1,3-dienyl]phosphonic acid Formula: C9H9FN5O3P MolecularWeight: 285.171624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C=CC=C(F)P(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2/C=C/C=C(\F)/P(=O)(O)O

InChI

InChI=1S/C9H9FN5O3P/c10-6(19(16,17)18)2-1-3-15-5-14-7-8(11)12-4-13-9(7)15/h1-5H,(H2,11,12,13)(H2,16,17,18)/b3-1+,6-2+