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

Systemtic Name: 2-[6-(ethylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(ethylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(ethylamino)-2-(3-phenoxyprop-1-ynyl)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(ethylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(ethylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CCOC4=CC=CC=C4

Isomeric SMILES

CCNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CCOC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O5/c1-2-22-19-16-20(26(12-23-16)21-18(29)17(28)14(11-27)31-21)25-15(24-19)9-6-10-30-13-7-4-3-5-8-13/h3-5,7-8,12,14,17-18,21,27-29H,2,10-11H2,1H3,(H,22,24,25)