2-(hydroxymethyl)-6-[6-[(phenylmethyl)amino]purin-9-yl]oxy-oxane-3,4,5-triol

Systemtic Name: 2-(hydroxymethyl)-6-[6-[(phenylmethyl)amino]purin-9-yl]oxy-oxane-3,4,5-triol Openeye Name: 2-[6-(benzylamino)purin-9-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: 2-(hydroxymethyl)-6-[[6-[(phenylmethyl)amino]-9-purinyl]oxy]oxane-3,4,5-triol IUPAC Name: 2-[6-(benzylamino)purin-9-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: 2-[6-(benzylamino)purin-9-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol Formula: C18H21N5O6 MolecularWeight: 403.38924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3OC4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3OC4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C18H21N5O6/c24-7-11-13(25)14(26)15(27)18(28-11)29-23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)