[5-[6-(6-azanylhexylamino)purin-9-yl]-4-oxidanyl-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [5-[6-(6-azanylhexylamino)purin-9-yl]-4-oxidanyl-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-[6-(6-aminohexylamino)purin-9-yl]-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-[6-(6-aminohexylamino)-9-purinyl]-4-hydroxy-2-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-[6-(6-aminohexylamino)purin-9-yl]-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-[6-(6-aminohexylamino)purin-9-yl]-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C16H28N6O10P2 MolecularWeight: 526.375242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)NCCCCCCN)N=CN2C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)NCCCCCCN)N=CN2C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O

InChI

InChI=1S/C16H28N6O10P2/c17-5-3-1-2-4-6-18-14-11-15(20-8-19-14)22(9-21-11)16-12(23)13(32-34(27,28)29)10(31-16)7-30-33(24,25)26/h8-10,12-13,16,23H,1-7,17H2,(H,18,19,20)(H2,24,25,26)(H2,27,28,29)