9-[6-[4-(diethoxyphosphorylmethyl)-2-fluoranyl-phenoxy]hexyl]purin-6-amine

Systemtic Name: 9-[6-[4-(diethoxyphosphorylmethyl)-2-fluoranyl-phenoxy]hexyl]purin-6-amine Openeye Name: 9-[6-[4-(diethoxyphosphorylmethyl)-2-fluoro-phenoxy]hexyl]purin-6-amine CAS Name: 9-[6-[4-(diethoxyphosphorylmethyl)-2-fluorophenoxy]hexyl]-6-purinamine IUPAC Name: 9-[6-[4-(diethoxyphosphorylmethyl)-2-fluorophenoxy]hexyl]purin-6-amine Traditional Name: [9-[6-[4-(diethoxyphosphorylmethyl)-2-fluoro-phenoxy]hexyl]purin-6-yl]amine Formula: C22H31FN5O4P MolecularWeight: 479.484804

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC(=C(C=C1)OCCCCCCN2C=NC3=C2N=CN=C3N)F)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC(=C(C=C1)OCCCCCCN2C=NC3=C2N=CN=C3N)F)OCC

InChI

InChI=1S/C22H31FN5O4P/c1-3-31-33(29,32-4-2)14-17-9-10-19(18(23)13-17)30-12-8-6-5-7-11-28-16-27-20-21(24)25-15-26-22(20)28/h9-10,13,15-16H,3-8,11-12,14H2,1-2H3,(H2,24,25,26)