2-[6-(hexylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-(hexylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(hexylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(hexylamino)-2-(3-phenoxyprop-1-ynyl)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(hexylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(hexylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C25H31N5O5 MolecularWeight: 481.54414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CCOC4=CC=CC=C4

Isomeric SMILES

CCCCCCNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CCOC4=CC=CC=C4

InChI

InChI=1S/C25H31N5O5/c1-2-3-4-8-13-26-23-20-24(30(16-27-20)25-22(33)21(32)18(15-31)35-25)29-19(28-23)12-9-14-34-17-10-6-5-7-11-17/h5-7,10-11,16,18,21-22,25,31-33H,2-4,8,13-15H2,1H3,(H,26,28,29)