[3,4-diacetyloxy-5-[2-cyano-6-(phenethylamino)purin-9-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-[2-cyano-6-(phenethylamino)purin-9-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-[2-cyano-6-(phenethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-[2-cyano-6-(phenethylamino)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-[2-cyano-6-(phenethylamino)purin-9-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-[2-cyano-6-(phenethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C25H26N6O7 MolecularWeight: 522.50994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCCC4=CC=CC=C4)C#N)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCCC4=CC=CC=C4)C#N)OC(=O)C)OC(=O)C

InChI

InChI=1S/C25H26N6O7/c1-14(32)35-12-18-21(36-15(2)33)22(37-16(3)34)25(38-18)31-13-28-20-23(29-19(11-26)30-24(20)31)27-10-9-17-7-5-4-6-8-17/h4-8,13,18,21-22,25H,9-10,12H2,1-3H3,(H,27,29,30)