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

Systemtic Name: 2-[6-azanyl-2-(phenylmethyl)purin-9-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: 2-(6-amino-2-benzyl-purin-9-yl)oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: 2-[[6-amino-2-(phenylmethyl)-9-purinyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: 2-(6-amino-2-benzylpurin-9-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: 2-(6-amino-2-benzyl-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)CC2=NC3=C(C(=N2)N)N=CN3OC4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(C(=N2)N)N=CN3OC4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C18H21N5O6/c19-16-12-17(22-11(21-16)6-9-4-2-1-3-5-9)23(8-20-12)29-18-15(27)14(26)13(25)10(7-24)28-18/h1-5,8,10,13-15,18,24-27H,6-7H2,(H2,19,21,22)