2-[6-azanyl-2-[1-(2-butylphenyl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-[1-(2-butylphenyl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[1-(2-butylphenyl)ethoxy]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[1-(2-butylphenyl)ethoxy]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[1-(2-butylphenyl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[1-(2-butylphenyl)ethoxy]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C22H29N5O5 MolecularWeight: 443.49616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C(C)OC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

CCCCC1=CC=CC=C1C(C)OC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C22H29N5O5/c1-3-4-7-13-8-5-6-9-14(13)12(2)31-22-25-19(23)16-20(26-22)27(11-24-16)21-18(30)17(29)15(10-28)32-21/h5-6,8-9,11-12,15,17-18,21,28-30H,3-4,7,10H2,1-2H3,(H2,23,25,26)