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

Systemtic Name: 2-(hydroxymethyl)-5-[2-(3-phenoxyprop-1-ynyl)-6-(propan-2-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(isopropylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[2-(3-phenoxyprop-1-ynyl)-6-(propan-2-ylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[2-(3-phenoxyprop-1-ynyl)-6-(propan-2-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[6-(isopropylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CCOC4=CC=CC=C4

Isomeric SMILES

CC(C)NC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CCOC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O5/c1-13(2)24-20-17-21(27(12-23-17)22-19(30)18(29)15(11-28)32-22)26-16(25-20)9-6-10-31-14-7-4-3-5-8-14/h3-5,7-8,12-13,15,18-19,22,28-30H,10-11H2,1-2H3,(H,24,25,26)