[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-oxolan-3-yl] 2-(4-azido-3-iodanyl-phenyl)ethanoate

Systemtic Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-oxolan-3-yl] 2-(4-azido-3-iodanyl-phenyl)ethanoate Openeye Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-tetrahydrofuran-3-yl] 2-(4-azido-3-iodo-phenyl)acetate CAS Name: 2-(4-azido-3-iodophenyl)acetic acid [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl] 2-(4-azido-3-iodophenyl)acetate Traditional Name: 2-(4-azido-3-iodo-phenyl)acetic acid [(2R,3S,5R)-5-adenin-9-yl-2-methyl-tetrahydrofuran-3-yl] ester Formula: C18H17IN8O3 MolecularWeight: 520.28385

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(O1)N2C=NC3=C2N=CN=C3N)OC(=O)CC4=CC(=C(C=C4)N=[N+]=[N-])I

Isomeric SMILES

C[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=CN=C3N)OC(=O)CC4=CC(=C(C=C4)N=[N+]=[N-])I

InChI

InChI=1S/C18H17IN8O3/c1-9-13(30-15(28)5-10-2-3-12(25-26-21)11(19)4-10)6-14(29-9)27-8-24-16-17(20)22-7-23-18(16)27/h2-4,7-9,13-14H,5-6H2,1H3,(H2,20,22,23)/t9-,13+,14-/m1/s1