N-[6-chloranyl-9-[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxy-propoxy]purin-2-yl]methanamide

Systemtic Name: N-[6-chloranyl-9-[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxy-propoxy]purin-2-yl]methanamide Openeye Name: N-[9-[3-benzyloxy-2-(diethoxyphosphorylmethoxy)propoxy]-6-chloro-purin-2-yl]formamide CAS Name: N-[6-chloro-9-[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxypropoxy]-2-purinyl]formamide IUPAC Name: N-[6-chloro-9-[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxypropoxy]purin-2-yl]formamide Traditional Name: N-[9-[3-benzoxy-2-(diethoxyphosphorylmethoxy)propoxy]-6-chloro-purin-2-yl]formamide Formula: C21H27ClN5O7P MolecularWeight: 527.895141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC(COCC1=CC=CC=C1)CON2C=NC3=C2N=C(N=C3Cl)NC=O)OCC

Isomeric SMILES

CCOP(=O)(COC(COCC1=CC=CC=C1)CON2C=NC3=C2N=C(N=C3Cl)NC=O)OCC

InChI

InChI=1S/C21H27ClN5O7P/c1-3-33-35(29,34-4-2)15-31-17(11-30-10-16-8-6-5-7-9-16)12-32-27-13-23-18-19(22)25-21(24-14-28)26-20(18)27/h5-9,13-14,17H,3-4,10-12,15H2,1-2H3,(H,24,25,26,28)