[3-[6-[(E)-dimethylaminomethylideneamino]purin-9-yl]-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-trimethyl-azanium chloride

Systemtic Name: [3-[6-[(E)-dimethylaminomethylideneamino]purin-9-yl]-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-trimethyl-azanium chloride Openeye Name: [2-(diisopropoxyphosphorylmethoxy)-3-[6-[(E)-dimethylaminomethyleneamino]purin-9-yl]propyl]-trimethyl-ammonium chloride CAS Name: [3-[6-[(E)-dimethylaminomethylideneamino]-9-purinyl]-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-trimethylammonium chloride IUPAC Name: [3-[6-[(E)-dimethylaminomethylideneamino]purin-9-yl]-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-trimethylazanium chloride Traditional Name: [2-(diisopropoxyphosphorylmethoxy)-3-[6-[(E)-dimethylaminomethyleneamino]purin-9-yl]propyl]-trimethyl-ammonium chloride Formula: C21H39ClN7O4P MolecularWeight: 520.005621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(COC(CN1C=NC2=C(N=CN=C21)N=CN(C)C)C[N+](C)(C)C)OC(C)C.[Cl-]

Isomeric SMILES

CC(C)OP(=O)(COC(CN1C=NC2=C(N=CN=C21)/N=C/N(C)C)C[N+](C)(C)C)OC(C)C.[Cl-]

InChI

InChI=1S/C21H39N7O4P.ClH/c1-16(2)31-33(29,32-17(3)4)15-30-18(11-28(7,8)9)10-27-14-24-19-20(25-13-26(5)6)22-12-23-21(19)27;/h12-14,16-18H,10-11,15H2,1-9H3;1H/q+1;/p-1/b25-13+;