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

Systemtic Name: (2S,3R,5R)-5-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-N-methyl-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-N-methyl-tetrahydrofuran-2-carboxamide CAS Name: (2S,3R,5R)-5-(6-amino-2-hex-1-ynyl-9-purinyl)-3,4-dihydroxy-N-methyl-2-oxolanecarboxamide IUPAC Name: (2S,3R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide Traditional Name: (2S,3R,5R)-5-(6-amino-2-hex-1-ynyl-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O4/c1-3-4-5-6-7-9-21-14(18)10-15(22-9)23(8-20-10)17-12(25)11(24)13(27-17)16(26)19-2/h8,11-13,17,24-25H,3-5H2,1-2H3,(H,19,26)(H2,18,21,22)/t11-,12?,13+,17-/m1/s1