[(3R,4R,5R,6R)-4,5-diacetyloxy-6-(6-piperidin-1-ylpurin-9-yl)oxan-3-yl] ethanoate

Systemtic Name: [(3R,4R,5R,6R)-4,5-diacetyloxy-6-(6-piperidin-1-ylpurin-9-yl)oxan-3-yl] ethanoate Openeye Name: [(3R,4R,5R,6R)-4,5-diacetoxy-6-[6-(1-piperidyl)purin-9-yl]tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(3R,4R,5R,6R)-4,5-diacetyloxy-6-[6-(1-piperidinyl)-9-purinyl]-3-oxanyl] ester IUPAC Name: [(3R,4R,5R,6R)-4,5-diacetyloxy-6-(6-piperidin-1-ylpurin-9-yl)oxan-3-yl] acetate Traditional Name: acetic acid [(3R,4R,5R,6R)-4,5-diacetoxy-6-(6-piperidinopurin-9-yl)tetrahydropyran-3-yl] ester Formula: C21H27N5O7 MolecularWeight: 461.46838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C=NC3=C2N=CN=C3N4CCCCC4

Isomeric SMILES

CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)N2C=NC3=C2N=CN=C3N4CCCCC4

InChI

InChI=1S/C21H27N5O7/c1-12(27)31-15-9-30-21(18(33-14(3)29)17(15)32-13(2)28)26-11-24-16-19(22-10-23-20(16)26)25-7-5-4-6-8-25/h10-11,15,17-18,21H,4-9H2,1-3H3/t15-,17-,18-,21-/m1/s1