[7-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1,1-bis(fluoranyl)heptyl]phosphonic acid

Systemtic Name: [7-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1,1-bis(fluoranyl)heptyl]phosphonic acid Openeye Name: [7-(2-amino-6-oxo-3H-purin-9-yl)-1,1-difluoro-heptyl]phosphonic acid CAS Name: [7-(2-amino-6-oxo-3H-purin-9-yl)-1,1-difluoroheptyl]phosphonic acid IUPAC Name: [7-(2-amino-6-oxo-3H-purin-9-yl)-1,1-difluoroheptyl]phosphonic acid Traditional Name: [7-(2-amino-6-keto-3H-purin-9-yl)-1,1-difluoro-heptyl]phosphonic acid Formula: C12H18F2N5O4P MolecularWeight: 365.272987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCCCCC(F)(F)P(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCCCCCC(F)(F)P(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C12H18F2N5O4P/c13-12(14,24(21,22)23)5-3-1-2-4-6-19-7-16-8-9(19)17-11(15)18-10(8)20/h7H,1-6H2,(H2,21,22,23)(H3,15,17,18,20)