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

Systemtic Name: 2-[6-azanyl-2-[1-(4-hydroxyphenyl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[1-(4-hydroxyphenyl)ethoxy]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[1-(4-hydroxyphenyl)ethoxy]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[1-(4-hydroxyphenyl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[1-(4-hydroxyphenyl)ethoxy]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H21N5O6 MolecularWeight: 403.38924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)O)OC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)O)OC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C18H21N5O6/c1-8(9-2-4-10(25)5-3-9)28-18-21-15(19)12-16(22-18)23(7-20-12)17-14(27)13(26)11(6-24)29-17/h2-5,7-8,11,13-14,17,24-27H,6H2,1H3,(H2,19,21,22)