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

Systemtic Name: 3-azanyl-5-[6-[2-(2,5-dimethoxyphenyl)ethylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-amino-5-[6-[2-(2,5-dimethoxyphenyl)ethylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-amino-5-[6-[2-(2,5-dimethoxyphenyl)ethylamino]-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-amino-5-[6-[2-(2,5-dimethoxyphenyl)ethylamino]purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 3-amino-5-[6-[2-(2,5-dimethoxyphenyl)ethylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C20H24N6O6 MolecularWeight: 444.44116

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O6/c1-30-11-3-4-12(31-2)10(7-11)5-6-22-17-14-18(24-8-23-17)26(9-25-14)19-15(27)13(21)16(32-19)20(28)29/h3-4,7-9,13,15-16,19,27H,5-6,21H2,1-2H3,(H,28,29)(H,22,23,24)