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

Systemtic Name: 2-(hydroxymethyl)-5-[6-(phenethyloxyamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(phenethyloxyamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(phenethyloxyamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(phenethyloxyamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-(phenethyloxyamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C18H21N5O5 MolecularWeight: 387.38984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCONC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCONC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C18H21N5O5/c24-8-12-14(25)15(26)18(28-12)23-10-21-13-16(19-9-20-17(13)23)22-27-7-6-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,24-26H,6-8H2,(H,19,20,22)