(phenylmethyl) 5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxylate

Systemtic Name: (phenylmethyl) 5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxylate Openeye Name: benzyl 5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxylate CAS Name: 5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate Traditional Name: 5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-carboxylic acid benzyl ester Formula: C17H17N5O5 MolecularWeight: 371.34738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

InChI

InChI=1S/C17H17N5O5/c18-14-10-15(20-7-19-14)22(8-21-10)16-12(24)11(23)13(27-16)17(25)26-6-9-4-2-1-3-5-9/h1-5,7-8,11-13,16,23-24H,6H2,(H2,18,19,20)