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

Systemtic Name: 3-azanyl-5-[6-[2-(3,5-dimethoxy-4-phenylmethoxy-phenyl)ethylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-amino-5-[6-[2-(4-benzyloxy-3,5-dimethoxy-phenyl)ethylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-amino-5-[6-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)ethylamino]-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-amino-5-[6-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)ethylamino]purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 3-amino-5-[6-[2-(4-benzoxy-3,5-dimethoxy-phenyl)ethylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C27H30N6O7 MolecularWeight: 550.5631

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)CCNC3=NC=NC4=C3N=CN4C5C(C(C(O5)C(=O)O)N)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)CCNC3=NC=NC4=C3N=CN4C5C(C(C(O5)C(=O)O)N)O

InChI

InChI=1S/C27H30N6O7/c1-37-17-10-16(11-18(38-2)22(17)39-12-15-6-4-3-5-7-15)8-9-29-24-20-25(31-13-30-24)33(14-32-20)26-21(34)19(28)23(40-26)27(35)36/h3-7,10-11,13-14,19,21,23,26,34H,8-9,12,28H2,1-2H3,(H,35,36)(H,29,30,31)