[(3R,3aR,5R,6R,6aR)-5-(6-benzamidopurin-9-yl)-6-oxidanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2,2-dimethylpropanoate

Systemtic Name: [(3R,3aR,5R,6R,6aR)-5-(6-benzamidopurin-9-yl)-6-oxidanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2,2-dimethylpropanoate Openeye Name: [(3R,3aR,5R,6R,6aR)-5-(6-benzamidopurin-9-yl)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(3R,3aR,5R,6R,6aR)-5-(6-benzamido-9-purinyl)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] ester IUPAC Name: [(3R,3aR,5R,6R,6aR)-5-(6-benzamidopurin-9-yl)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(3R,3aR,5R,6R,6aR)-5-(6-benzamidopurin-9-yl)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] ester Formula: C23H25N5O6 MolecularWeight: 467.4745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1COC2C1OC(C2O)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C(=O)O[C@@H]1CO[C@H]2[C@@H]1O[C@H]([C@@H]2O)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H25N5O6/c1-23(2,3)22(31)33-13-9-32-17-15(29)21(34-16(13)17)28-11-26-14-18(24-10-25-19(14)28)27-20(30)12-7-5-4-6-8-12/h4-8,10-11,13,15-17,21,29H,9H2,1-3H3,(H,24,25,27,30)/t13-,15-,16-,17-,21-/m1/s1