N-[6-chloranyl-8-[2-(diethoxyphosphorylmethoxy)propoxy]-3-phenylmethoxy-purin-2-yl]methanamide

Systemtic Name: N-[6-chloranyl-8-[2-(diethoxyphosphorylmethoxy)propoxy]-3-phenylmethoxy-purin-2-yl]methanamide Openeye Name: N-[3-benzyloxy-6-chloro-8-[2-(diethoxyphosphorylmethoxy)propoxy]purin-2-yl]formamide CAS Name: N-[6-chloro-8-[2-(diethoxyphosphorylmethoxy)propoxy]-3-phenylmethoxy-2-purinyl]formamide IUPAC Name: N-[6-chloro-8-[2-(diethoxyphosphorylmethoxy)propoxy]-3-phenylmethoxypurin-2-yl]formamide Traditional Name: N-[3-benzoxy-6-chloro-8-[2-(diethoxyphosphorylmethoxy)propoxy]purin-2-yl]formamide Formula: C21H27ClN5O7P MolecularWeight: 527.895141

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC(C)COC1=NC2=C(N=C(N(C2=N1)OCC3=CC=CC=C3)NC=O)Cl)OCC

Isomeric SMILES

CCOP(=O)(COC(C)COC1=NC2=C(N=C(N(C2=N1)OCC3=CC=CC=C3)NC=O)Cl)OCC

InChI

InChI=1S/C21H27ClN5O7P/c1-4-33-35(29,34-5-2)14-31-15(3)11-30-21-24-17-18(22)25-20(23-13-28)27(19(17)26-21)32-12-16-9-7-6-8-10-16/h6-10,13,15H,4-5,11-12,14H2,1-3H3,(H,23,25,28)