[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,4R,5R)-5-adenin-9-yl-4-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C1O)N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C17H17N5O4/c18-14-13-15(20-8-19-14)22(9-21-13)16-12(23)6-11(26-16)7-25-17(24)10-4-2-1-3-5-10/h1-5,8-9,11-12,16,23H,6-7H2,(H2,18,19,20)/t11-,12+,16+/m0/s1