[5-[2-acetamido-6-[(4-iodophenyl)methoxy]purin-9-yl]-2-acetyloxy-oxolan-3-yl] ethanoate

Systemtic Name: [5-[2-acetamido-6-[(4-iodophenyl)methoxy]purin-9-yl]-2-acetyloxy-oxolan-3-yl] ethanoate Openeye Name: [5-[2-acetamido-6-[(4-iodophenyl)methoxy]purin-9-yl]-2-acetoxy-tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [5-[2-acetamido-6-[(4-iodophenyl)methoxy]-9-purinyl]-2-acetyloxy-3-oxolanyl] ester IUPAC Name: [5-[2-acetamido-6-[(4-iodophenyl)methoxy]purin-9-yl]-2-acetyloxyoxolan-3-yl] acetate Traditional Name: acetic acid [5-[2-acetamido-6-(4-iodobenzyl)oxy-purin-9-yl]-2-acetoxy-tetrahydrofuran-3-yl] ester Formula: C22H22IN5O7 MolecularWeight: 595.34385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)OCC3=CC=C(C=C3)I)N=CN2C4CC(C(O4)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)OCC3=CC=C(C=C3)I)N=CN2C4CC(C(O4)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H22IN5O7/c1-11(29)25-22-26-19-18(20(27-22)32-9-14-4-6-15(23)7-5-14)24-10-28(19)17-8-16(33-12(2)30)21(35-17)34-13(3)31/h4-7,10,16-17,21H,8-9H2,1-3H3,(H,25,26,27,29)