9-[2-[diethoxyphosphoryl(fluoranyl)methoxy]-3-phenylmethoxy-propyl]purin-6-amine

Systemtic Name: 9-[2-[diethoxyphosphoryl(fluoranyl)methoxy]-3-phenylmethoxy-propyl]purin-6-amine Openeye Name: 9-[3-benzyloxy-2-[diethoxyphosphoryl(fluoro)methoxy]propyl]purin-6-amine CAS Name: 9-[2-[diethoxyphosphoryl(fluoro)methoxy]-3-phenylmethoxypropyl]-6-purinamine IUPAC Name: 9-[2-[diethoxyphosphoryl(fluoro)methoxy]-3-phenylmethoxypropyl]purin-6-amine Traditional Name: [9-[3-benzoxy-2-[diethoxyphosphoryl(fluoro)methoxy]propyl]purin-6-yl]amine Formula: C20H27FN5O5P MolecularWeight: 467.431044

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(OC(CN1C=NC2=C1N=CN=C2N)COCC3=CC=CC=C3)F)OCC

Isomeric SMILES

CCOP(=O)(C(OC(CN1C=NC2=C1N=CN=C2N)COCC3=CC=CC=C3)F)OCC

InChI

InChI=1S/C20H27FN5O5P/c1-3-29-32(27,30-4-2)20(21)31-16(12-28-11-15-8-6-5-7-9-15)10-26-14-25-17-18(22)23-13-24-19(17)26/h5-9,13-14,16,20H,3-4,10-12H2,1-2H3,(H2,22,23,24)