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

Systemtic Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-oxolan-3-yl] 4-(4-azido-3-iodanyl-phenyl)butanoate Openeye Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-tetrahydrofuran-3-yl] 4-(4-azido-3-iodo-phenyl)butanoate CAS Name: 4-(4-azido-3-iodophenyl)butanoic 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] 4-(4-azido-3-iodophenyl)butanoate Traditional Name: 4-(4-azido-3-iodo-phenyl)butyric acid [(2R,3S,5R)-5-adenin-9-yl-2-methyl-tetrahydrofuran-3-yl] ester Formula: C20H21IN8O3 MolecularWeight: 548.33701

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(O1)N2C=NC3=C2N=CN=C3N)OC(=O)CCCC4=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)CCCC4=CC(=C(C=C4)N=[N+]=[N-])I

InChI

InChI=1S/C20H21IN8O3/c1-11-15(8-16(31-11)29-10-26-18-19(22)24-9-25-20(18)29)32-17(30)4-2-3-12-5-6-14(27-28-23)13(21)7-12/h5-7,9-11,15-16H,2-4,8H2,1H3,(H2,22,24,25)/t11-,15+,16-/m1/s1