[3,4-diacetyloxy-5-[6-(piperidin-1-ylamino)purin-9-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-[6-(piperidin-1-ylamino)purin-9-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-[6-(1-piperidylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-[6-(1-piperidinylamino)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-[6-(piperidin-1-ylamino)purin-9-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-[6-(piperidinoamino)purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C21H28N6O7 MolecularWeight: 476.48302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NN4CCCCC4)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NN4CCCCC4)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H28N6O7/c1-12(28)31-9-15-17(32-13(2)29)18(33-14(3)30)21(34-15)27-11-24-16-19(22-10-23-20(16)27)25-26-7-5-4-6-8-26/h10-11,15,17-18,21H,4-9H2,1-3H3,(H,22,23,25)