[5-(6-benzamidopurin-9-yl)-5-iodanyl-oxolan-2-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [5-(6-benzamidopurin-9-yl)-5-iodanyl-oxolan-2-yl]methyl 2,2-dimethylpropanoate Openeye Name: [5-(6-benzamidopurin-9-yl)-5-iodo-tetrahydrofuran-2-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [5-(6-benzamido-9-purinyl)-5-iodo-2-oxolanyl]methyl ester IUPAC Name: [5-(6-benzamidopurin-9-yl)-5-iodooxolan-2-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [5-(6-benzamidopurin-9-yl)-5-iodo-tetrahydrofuran-2-yl]methyl ester Formula: C22H24IN5O4 MolecularWeight: 549.36153

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC1CCC(O1)(N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)I

Isomeric SMILES

CC(C)(C)C(=O)OCC1CCC(O1)(N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)I

InChI

InChI=1S/C22H24IN5O4/c1-21(2,3)20(30)31-11-15-9-10-22(23,32-15)28-13-26-16-17(24-12-25-18(16)28)27-19(29)14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,24,25,27,29)