(2S,3R,5R)-5-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: (2S,3R,5R)-5-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: (2S,3R,5R)-5-(6-amino-2-hex-1-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: (2S,3R,5R)-5-(6-amino-2-hex-1-ynyl-9-purinyl)-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: (2S,3R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: (2S,3R,5R)-5-(6-amino-2-hex-1-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C16H20N6O4 MolecularWeight: 360.3678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(=O)N)O)O

Isomeric SMILES

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2[C@H]3C([C@H]([C@H](O3)C(=O)N)O)O

InChI

InChI=1S/C16H20N6O4/c1-2-3-4-5-6-8-20-13(17)9-15(21-8)22(7-19-9)16-11(24)10(23)12(26-16)14(18)25/h7,10-12,16,23-24H,2-4H2,1H3,(H2,18,25)(H2,17,20,21)/t10-,11?,12+,16-/m1/s1