(2S,3S,4R,5R)-3-azanyl-5-[6-[2-(4-fluoranyl-3-methoxy-phenyl)ethylamino]purin-9-yl]-N-methyl-4-oxidanyl-oxolane-2-carboxamide

Systemtic Name: (2S,3S,4R,5R)-3-azanyl-5-[6-[2-(4-fluoranyl-3-methoxy-phenyl)ethylamino]purin-9-yl]-N-methyl-4-oxidanyl-oxolane-2-carboxamide Openeye Name: (2S,3S,4R,5R)-3-amino-5-[6-[2-(4-fluoro-3-methoxy-phenyl)ethylamino]purin-9-yl]-4-hydroxy-N-methyl-tetrahydrofuran-2-carboxamide CAS Name: (2S,3S,4R,5R)-3-amino-5-[6-[2-(4-fluoro-3-methoxyphenyl)ethylamino]-9-purinyl]-4-hydroxy-N-methyl-2-oxolanecarboxamide IUPAC Name: (2S,3S,4R,5R)-3-amino-5-[6-[2-(4-fluoro-3-methoxyphenyl)ethylamino]purin-9-yl]-4-hydroxy-N-methyloxolane-2-carboxamide Traditional Name: (2S,3S,4R,5R)-3-amino-5-[6-[2-(4-fluoro-3-methoxy-phenyl)ethylamino]purin-9-yl]-4-hydroxy-N-methyl-tetrahydrofuran-2-carboxamide Formula: C20H24FN7O4 MolecularWeight: 445.447463

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NCCC4=CC(=C(C=C4)F)OC)O)N

Isomeric SMILES

CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3NCCC4=CC(=C(C=C4)F)OC)O)N

InChI

InChI=1S/C20H24FN7O4/c1-23-19(30)16-13(22)15(29)20(32-16)28-9-27-14-17(25-8-26-18(14)28)24-6-5-10-3-4-11(21)12(7-10)31-2/h3-4,7-9,13,15-16,20,29H,5-6,22H2,1-2H3,(H,23,30)(H,24,25,26)/t13-,15+,16-,20+/m0/s1