9-[5-[4-(diethoxyphosphorylmethyl)-2-fluoranyl-phenoxy]pentyl]purin-6-amine

Systemtic Name: 9-[5-[4-(diethoxyphosphorylmethyl)-2-fluoranyl-phenoxy]pentyl]purin-6-amine Openeye Name: 9-[5-[4-(diethoxyphosphorylmethyl)-2-fluoro-phenoxy]pentyl]purin-6-amine CAS Name: 9-[5-[4-(diethoxyphosphorylmethyl)-2-fluorophenoxy]pentyl]-6-purinamine IUPAC Name: 9-[5-[4-(diethoxyphosphorylmethyl)-2-fluorophenoxy]pentyl]purin-6-amine Traditional Name: [9-[5-[4-(diethoxyphosphorylmethyl)-2-fluoro-phenoxy]pentyl]purin-6-yl]amine Formula: C21H29FN5O4P MolecularWeight: 465.458224

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC(=C(C=C1)OCCCCCN2C=NC3=C2N=CN=C3N)F)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC(=C(C=C1)OCCCCCN2C=NC3=C2N=CN=C3N)F)OCC

InChI

InChI=1S/C21H29FN5O4P/c1-3-30-32(28,31-4-2)13-16-8-9-18(17(22)12-16)29-11-7-5-6-10-27-15-26-19-20(23)24-14-25-21(19)27/h8-9,12,14-15H,3-7,10-11,13H2,1-2H3,(H2,23,24,25)