2-[2-(diethoxyphosphorylmethoxy)propoxy]-3-phenylmethoxy-purin-6-amine

Systemtic Name: 2-[2-(diethoxyphosphorylmethoxy)propoxy]-3-phenylmethoxy-purin-6-amine Openeye Name: 3-benzyloxy-2-[2-(diethoxyphosphorylmethoxy)propoxy]purin-6-amine CAS Name: 2-[2-(diethoxyphosphorylmethoxy)propoxy]-3-phenylmethoxy-6-purinamine IUPAC Name: 2-[2-(diethoxyphosphorylmethoxy)propoxy]-3-phenylmethoxypurin-6-amine Traditional Name: [3-benzoxy-2-[2-(diethoxyphosphorylmethoxy)propoxy]purin-6-yl]amine Formula: C20H28N5O6P MolecularWeight: 465.439981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC(C)COC1=NC(=C2C(=NC=N2)N1OCC3=CC=CC=C3)N)OCC

Isomeric SMILES

CCOP(=O)(COC(C)COC1=NC(=C2C(=NC=N2)N1OCC3=CC=CC=C3)N)OCC

InChI

InChI=1S/C20H28N5O6P/c1-4-30-32(26,31-5-2)14-28-15(3)11-27-20-24-18(21)17-19(23-13-22-17)25(20)29-12-16-9-7-6-8-10-16/h6-10,13,15H,4-5,11-12,14,21H2,1-3H3