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

Systemtic Name: 9-[4-[4-(diethoxyphosphorylmethyl)-2-fluoranyl-phenoxy]butyl]purin-6-amine Openeye Name: 9-[4-[4-(diethoxyphosphorylmethyl)-2-fluoro-phenoxy]butyl]purin-6-amine CAS Name: 9-[4-[4-(diethoxyphosphorylmethyl)-2-fluorophenoxy]butyl]-6-purinamine IUPAC Name: 9-[4-[4-(diethoxyphosphorylmethyl)-2-fluorophenoxy]butyl]purin-6-amine Traditional Name: [9-[4-[4-(diethoxyphosphorylmethyl)-2-fluoro-phenoxy]butyl]purin-6-yl]amine Formula: C20H27FN5O4P MolecularWeight: 451.431644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC(=C(C=C1)OCCCCN2C=NC3=C2N=CN=C3N)F)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC(=C(C=C1)OCCCCN2C=NC3=C2N=CN=C3N)F)OCC

InChI

InChI=1S/C20H27FN5O4P/c1-3-29-31(27,30-4-2)12-15-7-8-17(16(21)11-15)28-10-6-5-9-26-14-25-18-19(22)23-13-24-20(18)26/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3,(H2,22,23,24)