2-[5-(6-azanyl-2-but-1-ynyl-purin-9-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide

Systemtic Name: 2-[5-(6-azanyl-2-but-1-ynyl-purin-9-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide Openeye Name: 2-[5-(6-amino-2-but-1-ynyl-purin-9-yl)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrofuran-2-yl]acetamide CAS Name: 2-[5-(6-amino-2-but-1-ynyl-9-purinyl)-3,4-dihydroxy-2-(hydroxymethyl)-2-oxolanyl]acetamide IUPAC Name: 2-[5-(6-amino-2-but-1-ynylpurin-9-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]acetamide Traditional Name: 2-[5-(6-amino-2-but-1-ynyl-purin-9-yl)-3,4-dihydroxy-2-methylol-tetrahydrofuran-2-yl]acetamide Formula: C16H20N6O5 MolecularWeight: 376.3672

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)(CC(=O)N)CO)O)O

Isomeric SMILES

CCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)(CC(=O)N)CO)O)O

InChI

InChI=1S/C16H20N6O5/c1-2-3-4-9-20-13(18)10-14(21-9)22(7-19-10)15-11(25)12(26)16(6-23,27-15)5-8(17)24/h7,11-12,15,23,25-26H,2,5-6H2,1H3,(H2,17,24)(H2,18,20,21)