(2S,3S,4R,5R)-5-[6-azanyl-2-[2-[(1S)-3,3-dimethyl-1-oxidanyl-cyclohexyl]ethynyl]purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: (2S,3S,4R,5R)-5-[6-azanyl-2-[2-[(1S)-3,3-dimethyl-1-oxidanyl-cyclohexyl]ethynyl]purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: (2S,3S,4R,5R)-5-[6-amino-2-[2-[(1S)-1-hydroxy-3,3-dimethyl-cyclohexyl]ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: (2S,3S,4R,5R)-5-[6-amino-2-[2-[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]ethynyl]-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: (2S,3S,4R,5R)-5-[6-amino-2-[2-[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: (2S,3S,4R,5R)-5-[6-amino-2-[2-[(1S)-1-hydroxy-3,3-dimethyl-cyclohexyl]ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C22H30N6O5 MolecularWeight: 458.5108

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)C#CC4(CCCC(C4)(C)C)O)O)O

Isomeric SMILES

CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3N)C#C[C@@]4(CCCC(C4)(C)C)O)O)O

InChI

InChI=1S/C22H30N6O5/c1-4-24-19(31)16-14(29)15(30)20(33-16)28-11-25-13-17(23)26-12(27-18(13)28)6-9-22(32)8-5-7-21(2,3)10-22/h11,14-16,20,29-30,32H,4-5,7-8,10H2,1-3H3,(H,24,31)(H2,23,26,27)/t14-,15+,16-,20+,22+/m0/s1