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

Systemtic Name: 2-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-5-(azidomethyl)oxolane-3,4-diol Openeye Name: 2-(6-amino-2-hex-1-ynyl-purin-9-yl)-5-(azidomethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(6-amino-2-hex-1-ynyl-9-purinyl)-5-(azidomethyl)oxolane-3,4-diol IUPAC Name: 2-(6-amino-2-hex-1-ynylpurin-9-yl)-5-(azidomethyl)oxolane-3,4-diol Traditional Name: 2-(6-amino-2-hex-1-ynyl-purin-9-yl)-5-(azidomethyl)tetrahydrofuran-3,4-diol Formula: C16H20N8O3 MolecularWeight: 372.3818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CN=[N+]=[N-])O)O

Isomeric SMILES

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CN=[N+]=[N-])O)O

InChI

InChI=1S/C16H20N8O3/c1-2-3-4-5-6-10-21-14(17)11-15(22-10)24(8-19-11)16-13(26)12(25)9(27-16)7-20-23-18/h8-9,12-13,16,25-26H,2-4,7H2,1H3,(H2,17,21,22)