(2R,4R,5R)-2-(6-azanyl-2-but-1-ynyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: (2R,4R,5R)-2-(6-azanyl-2-but-1-ynyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: (2R,4R,5R)-2-(6-amino-2-but-1-ynyl-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: (2R,4R,5R)-2-(6-amino-2-but-1-ynyl-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: (2R,4R,5R)-2-(6-amino-2-but-1-ynylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: (2R,4R,5R)-2-(6-amino-2-but-1-ynyl-purin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol Formula: C14H17N5O4 MolecularWeight: 319.31588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O4/c1-2-3-4-8-17-12(15)9-13(18-8)19(6-16-9)14-11(22)10(21)7(5-20)23-14/h6-7,10-11,14,20-22H,2,5H2,1H3,(H2,15,17,18)/t7-,10+,11?,14-/m1/s1