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

Systemtic Name: 9-[2-[4-(diethoxyphosphorylmethyl)-2-fluoranyl-phenoxy]ethyl]purin-6-amine Openeye Name: 9-[2-[4-(diethoxyphosphorylmethyl)-2-fluoro-phenoxy]ethyl]purin-6-amine CAS Name: 9-[2-[4-(diethoxyphosphorylmethyl)-2-fluorophenoxy]ethyl]-6-purinamine IUPAC Name: 9-[2-[4-(diethoxyphosphorylmethyl)-2-fluorophenoxy]ethyl]purin-6-amine Traditional Name: [9-[2-[4-(diethoxyphosphorylmethyl)-2-fluoro-phenoxy]ethyl]purin-6-yl]amine Formula: C18H23FN5O4P MolecularWeight: 423.378484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC(=C(C=C1)OCCN2C=NC3=C2N=CN=C3N)F)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC(=C(C=C1)OCCN2C=NC3=C2N=CN=C3N)F)OCC

InChI

InChI=1S/C18H23FN5O4P/c1-3-27-29(25,28-4-2)10-13-5-6-15(14(19)9-13)26-8-7-24-12-23-16-17(20)21-11-22-18(16)24/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H2,20,21,22)