6-chloranyl-9-[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxy-propoxy]purine

Systemtic Name: 6-chloranyl-9-[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxy-propoxy]purine Openeye Name: 9-[3-benzyloxy-2-(diethoxyphosphorylmethoxy)propoxy]-6-chloro-purine CAS Name: 6-chloro-9-[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxypropoxy]purine IUPAC Name: 6-chloro-9-[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxypropoxy]purine Traditional Name: 9-[3-benzoxy-2-(diethoxyphosphorylmethoxy)propoxy]-6-chloro-purine Formula: C20H26ClN4O6P MolecularWeight: 484.870401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC(COCC1=CC=CC=C1)CON2C=NC3=C2N=CN=C3Cl)OCC

Isomeric SMILES

CCOP(=O)(COC(COCC1=CC=CC=C1)CON2C=NC3=C2N=CN=C3Cl)OCC

InChI

InChI=1S/C20H26ClN4O6P/c1-3-30-32(26,31-4-2)15-28-17(11-27-10-16-8-6-5-7-9-16)12-29-25-14-24-18-19(21)22-13-23-20(18)25/h5-9,13-14,17H,3-4,10-12,15H2,1-2H3