2-(hydroxymethyl)-5-[6-(2-phenylbutylamino)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-(2-phenylbutylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(2-phenylbutylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(2-phenylbutylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(2-phenylbutylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-(2-phenylbutylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C4=CC=CC=C4

Isomeric SMILES

CCC(CNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C4=CC=CC=C4

InChI

InChI=1S/C20H25N5O4/c1-2-12(13-6-4-3-5-7-13)8-21-18-15-19(23-10-22-18)25(11-24-15)20-17(28)16(27)14(9-26)29-20/h3-7,10-12,14,16-17,20,26-28H,2,8-9H2,1H3,(H,21,22,23)