(2R,3R,5S)-2-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-5-(hydroxymethyl)oxolan-3-ol

Systemtic Name: (2R,3R,5S)-2-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-5-(hydroxymethyl)oxolan-3-ol Openeye Name: (2R,3R,5S)-2-(6-amino-2-hex-1-ynyl-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol CAS Name: (2R,3R,5S)-2-(6-amino-2-hex-1-ynyl-9-purinyl)-5-(hydroxymethyl)-3-oxolanol IUPAC Name: (2R,3R,5S)-2-(6-amino-2-hex-1-ynylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol Traditional Name: (2R,3R,5S)-2-(6-amino-2-hex-1-ynyl-purin-9-yl)-5-methylol-tetrahydrofuran-3-ol Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3/c1-2-3-4-5-6-12-19-14(17)13-15(20-12)21(9-18-13)16-11(23)7-10(8-22)24-16/h9-11,16,22-23H,2-4,7-8H2,1H3,(H2,17,19,20)/t10-,11+,16+/m0/s1