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

Systemtic Name: (3S,4R,5R)-2-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: (3S,4R,5R)-2-(6-amino-2-hex-1-ynyl-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: (3S,4R,5R)-2-(6-amino-2-hex-1-ynyl-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: (3S,4R,5R)-2-(6-amino-2-hex-1-ynylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: (3S,4R,5R)-2-(6-amino-2-hex-1-ynyl-purin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3[C@H]([C@H]([C@H](O3)CO)O)O

InChI

InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12+,13+,16?/m1/s1