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

Systemtic Name: [3,4-diacetyloxy-5-[2-cyano-6-(2,2-diphenylethylamino)purin-9-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-[2-cyano-6-(2,2-diphenylethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-[2-cyano-6-(2,2-diphenylethylamino)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-[2-cyano-6-(2,2-diphenylethylamino)purin-9-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-[2-cyano-6-(2,2-diphenylethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C31H30N6O7 MolecularWeight: 598.6059

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCC(C4=CC=CC=C4)C5=CC=CC=C5)C#N)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCC(C4=CC=CC=C4)C5=CC=CC=C5)C#N)OC(=O)C)OC(=O)C

InChI

InChI=1S/C31H30N6O7/c1-18(38)41-16-24-27(42-19(2)39)28(43-20(3)40)31(44-24)37-17-34-26-29(35-25(14-32)36-30(26)37)33-15-23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,17,23-24,27-28,31H,15-16H2,1-3H3,(H,33,35,36)