[(2R,3R,4R,5R)-4-acetyloxy-5-[6-oxidanylidene-1-(phenylmethyl)purin-9-yl]-2-(phenylmethoxymethyl)oxolan-3-yl] ethanoate

Systemtic Name: [(2R,3R,4R,5R)-4-acetyloxy-5-[6-oxidanylidene-1-(phenylmethyl)purin-9-yl]-2-(phenylmethoxymethyl)oxolan-3-yl] ethanoate Openeye Name: [(2R,3R,4R,5R)-4-acetoxy-5-(1-benzyl-6-oxo-purin-9-yl)-2-(benzyloxymethyl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2R,3R,4R,5R)-4-acetyloxy-5-[6-oxo-1-(phenylmethyl)-9-purinyl]-2-(phenylmethoxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5R)-4-acetyloxy-5-(1-benzyl-6-oxopurin-9-yl)-2-(phenylmethoxymethyl)oxolan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4R,5R)-4-acetoxy-2-(benzoxymethyl)-5-(1-benzyl-6-keto-purin-9-yl)tetrahydrofuran-3-yl] ester Formula: C28H28N4O7 MolecularWeight: 532.54452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2N=CN(C3=O)CC4=CC=CC=C4)COCC5=CC=CC=C5

Isomeric SMILES

CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C=NC3=C2N=CN(C3=O)CC4=CC=CC=C4)COCC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O7/c1-18(33)37-24-22(15-36-14-21-11-7-4-8-12-21)39-28(25(24)38-19(2)34)32-17-29-23-26(32)30-16-31(27(23)35)13-20-9-5-3-6-10-20/h3-12,16-17,22,24-25,28H,13-15H2,1-2H3/t22-,24-,25-,28-/m1/s1