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

Systemtic Name: 2-(aminomethyl)-5-(6-azanyl-2-hex-1-ynyl-purin-9-yl)oxolane-3,4-diol Openeye Name: 2-(6-amino-2-hex-1-ynyl-purin-9-yl)-5-(aminomethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(6-amino-2-hex-1-ynyl-9-purinyl)-5-(aminomethyl)oxolane-3,4-diol IUPAC Name: 2-(6-amino-2-hex-1-ynylpurin-9-yl)-5-(aminomethyl)oxolane-3,4-diol Traditional Name: 2-(6-amino-2-hex-1-ynyl-purin-9-yl)-5-(aminomethyl)tetrahydrofuran-3,4-diol Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O3/c1-2-3-4-5-6-10-20-14(18)11-15(21-10)22(8-19-11)16-13(24)12(23)9(7-17)25-16/h8-9,12-13,16,23-24H,2-4,7,17H2,1H3,(H2,18,20,21)