3-azido-5-[6-[2-(2,5-dimethoxyphenyl)ethylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 3-azido-5-[6-[2-(2,5-dimethoxyphenyl)ethylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-azido-5-[6-[2-(2,5-dimethoxyphenyl)ethylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-azido-5-[6-[2-(2,5-dimethoxyphenyl)ethylamino]-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-azido-5-[6-[2-(2,5-dimethoxyphenyl)ethylamino]purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 3-azido-5-[6-[2-(2,5-dimethoxyphenyl)ethylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C20H22N8O6 MolecularWeight: 470.43868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N=[N+]=[N-])O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N=[N+]=[N-])O

InChI

InChI=1S/C20H22N8O6/c1-32-11-3-4-12(33-2)10(7-11)5-6-22-17-14-18(24-8-23-17)28(9-25-14)19-15(29)13(26-27-21)16(34-19)20(30)31/h3-4,7-9,13,15-16,19,29H,5-6H2,1-2H3,(H,30,31)(H,22,23,24)