[2-(6-benzamidopurin-9-yl)-5-methoxy-3-oxidanyl-oxan-4-yl] benzoate

Systemtic Name: [2-(6-benzamidopurin-9-yl)-5-methoxy-3-oxidanyl-oxan-4-yl] benzoate Openeye Name: [2-(6-benzamidopurin-9-yl)-3-hydroxy-5-methoxy-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [2-(6-benzamido-9-purinyl)-3-hydroxy-5-methoxy-4-oxanyl] ester IUPAC Name: [2-(6-benzamidopurin-9-yl)-3-hydroxy-5-methoxyoxan-4-yl] benzoate Traditional Name: benzoic acid [2-(6-benzamidopurin-9-yl)-3-hydroxy-5-methoxy-tetrahydropyran-4-yl] ester Formula: C25H23N5O6 MolecularWeight: 489.48002

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Descriptors Computed from Structure

Canonical SMILES:

COC1COC(C(C1OC(=O)C2=CC=CC=C2)O)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1COC(C(C1OC(=O)C2=CC=CC=C2)O)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H23N5O6/c1-34-17-12-35-24(19(31)20(17)36-25(33)16-10-6-3-7-11-16)30-14-28-18-21(26-13-27-22(18)30)29-23(32)15-8-4-2-5-9-15/h2-11,13-14,17,19-20,24,31H,12H2,1H3,(H,26,27,29,32)