[4-acetyloxy-2-(3-tert-butyl-1,2-oxazol-5-yl)-5-[6-(piperidin-4-ylamino)purin-9-yl]oxolan-3-yl] ethanoate

Systemtic Name: [4-acetyloxy-2-(3-tert-butyl-1,2-oxazol-5-yl)-5-[6-(piperidin-4-ylamino)purin-9-yl]oxolan-3-yl] ethanoate Openeye Name: [4-acetoxy-2-(3-tert-butylisoxazol-5-yl)-5-[6-(4-piperidylamino)purin-9-yl]tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [4-acetyloxy-2-(3-tert-butyl-5-isoxazolyl)-5-[6-(4-piperidinylamino)-9-purinyl]-3-oxolanyl] ester IUPAC Name: [4-acetyloxy-2-(3-tert-butyl-1,2-oxazol-5-yl)-5-[6-(piperidin-4-ylamino)purin-9-yl]oxolan-3-yl] acetate Traditional Name: acetic acid [4-acetoxy-2-(3-tert-butylisoxazol-5-yl)-5-[6-(4-piperidylamino)purin-9-yl]tetrahydrofuran-3-yl] ester Formula: C25H33N7O6 MolecularWeight: 527.57282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC1C2=CC(=NO2)C(C)(C)C)N3C=NC4=C3N=CN=C4NC5CCNCC5)OC(=O)C

Isomeric SMILES

CC(=O)OC1C(C(OC1C2=CC(=NO2)C(C)(C)C)N3C=NC4=C3N=CN=C4NC5CCNCC5)OC(=O)C

InChI

InChI=1S/C25H33N7O6/c1-13(33)35-20-19(16-10-17(31-38-16)25(3,4)5)37-24(21(20)36-14(2)34)32-12-29-18-22(27-11-28-23(18)32)30-15-6-8-26-9-7-15/h10-12,15,19-21,24,26H,6-9H2,1-5H3,(H,27,28,30)