9-[2-(1-diethoxyphosphoryl-2-phenylmethoxy-ethoxy)ethyl]purin-6-amine

Systemtic Name: 9-[2-(1-diethoxyphosphoryl-2-phenylmethoxy-ethoxy)ethyl]purin-6-amine Openeye Name: 9-[2-(2-benzyloxy-1-diethoxyphosphoryl-ethoxy)ethyl]purin-6-amine CAS Name: 9-[2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethyl]-6-purinamine IUPAC Name: 9-[2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethyl]purin-6-amine Traditional Name: [9-[2-(2-benzoxy-1-diethoxyphosphoryl-ethoxy)ethyl]purin-6-yl]amine Formula: C20H28N5O5P MolecularWeight: 449.440581

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(COCC1=CC=CC=C1)OCCN2C=NC3=C2N=CN=C3N)OCC

Isomeric SMILES

CCOP(=O)(C(COCC1=CC=CC=C1)OCCN2C=NC3=C2N=CN=C3N)OCC

InChI

InChI=1S/C20H28N5O5P/c1-3-29-31(26,30-4-2)17(13-27-12-16-8-6-5-7-9-16)28-11-10-25-15-24-18-19(21)22-14-23-20(18)25/h5-9,14-15,17H,3-4,10-13H2,1-2H3,(H2,21,22,23)