3-azanyl-5-[6-[2-(3-methoxy-4-phenylmethoxy-phenyl)ethylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 3-azanyl-5-[6-[2-(3-methoxy-4-phenylmethoxy-phenyl)ethylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-amino-5-[6-[2-(4-benzyloxy-3-methoxy-phenyl)ethylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-amino-4-hydroxy-5-[6-[2-(3-methoxy-4-phenylmethoxyphenyl)ethylamino]-9-purinyl]-2-oxolanecarboxylic acid IUPAC Name: 3-amino-4-hydroxy-5-[6-[2-(3-methoxy-4-phenylmethoxyphenyl)ethylamino]purin-9-yl]oxolane-2-carboxylic acid Traditional Name: 3-amino-5-[6-[2-(4-benzoxy-3-methoxy-phenyl)ethylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C26H28N6O6 MolecularWeight: 520.53712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H28N6O6/c1-36-18-11-15(7-8-17(18)37-12-16-5-3-2-4-6-16)9-10-28-23-20-24(30-13-29-23)32(14-31-20)25-21(33)19(27)22(38-25)26(34)35/h2-8,11,13-14,19,21-22,25,33H,9-10,12,27H2,1H3,(H,34,35)(H,28,29,30)