[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,5R)-5-(6-benzamido-9-purinyl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C24H21N5O5 MolecularWeight: 459.45404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C24H21N5O5/c30-17-11-19(34-18(17)12-33-24(32)16-9-5-2-6-10-16)29-14-27-20-21(25-13-26-22(20)29)28-23(31)15-7-3-1-4-8-15/h1-10,13-14,17-19,30H,11-12H2,(H,25,26,28,31)/t17-,18+,19+/m0/s1