3-azido-5-[6-[(5-ethenyl-2-phenylmethoxy-phenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 3-azido-5-[6-[(5-ethenyl-2-phenylmethoxy-phenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-azido-5-[6-[(2-benzyloxy-5-vinyl-phenyl)methylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-azido-5-[6-[(5-ethenyl-2-phenylmethoxyphenyl)methylamino]-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-azido-5-[6-[(5-ethenyl-2-phenylmethoxyphenyl)methylamino]purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 3-azido-5-[6-[(2-benzoxy-5-vinyl-benzyl)amino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C26H24N8O5 MolecularWeight: 528.51936

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)CNC3=NC=NC4=C3N=CN4C5C(C(C(O5)C(=O)O)N=[N+]=[N-])O

Isomeric SMILES

C=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)CNC3=NC=NC4=C3N=CN4C5C(C(C(O5)C(=O)O)N=[N+]=[N-])O

InChI

InChI=1S/C26H24N8O5/c1-2-15-8-9-18(38-12-16-6-4-3-5-7-16)17(10-15)11-28-23-20-24(30-13-29-23)34(14-31-20)25-21(35)19(32-33-27)22(39-25)26(36)37/h2-10,13-14,19,21-22,25,35H,1,11-12H2,(H,36,37)(H,28,29,30)