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

Systemtic Name: [3,4-diacetyloxy-5-[2-bromanyl-6-(piperidin-1-ylamino)purin-9-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-[2-bromo-6-(1-piperidylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-[2-bromo-6-(1-piperidinylamino)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-[2-bromo-6-(piperidin-1-ylamino)purin-9-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-[2-bromo-6-(piperidinoamino)purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C21H27BrN6O7 MolecularWeight: 555.37908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN6O7/c1-11(29)32-9-14-16(33-12(2)30)17(34-13(3)31)20(35-14)28-10-23-15-18(24-21(22)25-19(15)28)26-27-7-5-4-6-8-27/h10,14,16-17,20H,4-9H2,1-3H3,(H,24,25,26)