[3,4-diacetyloxy-5-[2-cyano-6-(naphthalen-1-ylmethylamino)purin-9-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-[2-cyano-6-(naphthalen-1-ylmethylamino)purin-9-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-[2-cyano-6-(1-naphthylmethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-[2-cyano-6-(1-naphthalenylmethylamino)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-[2-cyano-6-(naphthalen-1-ylmethylamino)purin-9-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-[2-cyano-6-(1-naphthylmethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C28H26N6O7 MolecularWeight: 558.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC5=CC=CC=C54)C#N)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC5=CC=CC=C54)C#N)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H26N6O7/c1-15(35)38-13-21-24(39-16(2)36)25(40-17(3)37)28(41-21)34-14-31-23-26(32-22(11-29)33-27(23)34)30-12-19-9-6-8-18-7-4-5-10-20(18)19/h4-10,14,21,24-25,28H,12-13H2,1-3H3,(H,30,32,33)