9-[3-[4-(diethoxyphosphorylmethyl)-2-fluoranyl-phenoxy]propyl]purin-6-amine

Systemtic Name: 9-[3-[4-(diethoxyphosphorylmethyl)-2-fluoranyl-phenoxy]propyl]purin-6-amine Openeye Name: 9-[3-[4-(diethoxyphosphorylmethyl)-2-fluoro-phenoxy]propyl]purin-6-amine CAS Name: 9-[3-[4-(diethoxyphosphorylmethyl)-2-fluorophenoxy]propyl]-6-purinamine IUPAC Name: 9-[3-[4-(diethoxyphosphorylmethyl)-2-fluorophenoxy]propyl]purin-6-amine Traditional Name: [9-[3-[4-(diethoxyphosphorylmethyl)-2-fluoro-phenoxy]propyl]purin-6-yl]amine Formula: C19H25FN5O4P MolecularWeight: 437.405064

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC(=C(C=C1)OCCCN2C=NC3=C2N=CN=C3N)F)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC(=C(C=C1)OCCCN2C=NC3=C2N=CN=C3N)F)OCC

InChI

InChI=1S/C19H25FN5O4P/c1-3-28-30(26,29-4-2)11-14-6-7-16(15(20)10-14)27-9-5-8-25-13-24-17-18(21)22-12-23-19(17)25/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3,(H2,21,22,23)