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

Systemtic Name: 2-(hydroxymethyl)-5-[6-(1-phenylbutan-2-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[6-(1-benzylpropylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(1-phenylbutan-2-ylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(1-phenylbutan-2-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[6-(1-benzylpropylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

CCC(CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

InChI

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