(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3-iodanyl-4-methoxy-2-(1-oxidanylethenyl)oxolan-3-ol

Systemtic Name: (2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3-iodanyl-4-methoxy-2-(1-oxidanylethenyl)oxolan-3-ol Openeye Name: (2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-2-(1-hydroxyvinyl)-3-iodo-4-methoxy-tetrahydrofuran-3-ol CAS Name: (2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-2-(1-hydroxyethenyl)-3-iodo-4-methoxy-3-oxolanol IUPAC Name: (2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-2-(1-hydroxyethenyl)-3-iodo-4-methoxyoxolan-3-ol Traditional Name: (2R,3S,4S,5R)-5-adenin-9-yl-2-(1-hydroxyvinyl)-3-iodo-4-methoxy-tetrahydrofuran-3-ol Formula: C12H14IN5O4 MolecularWeight: 419.17513

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(OC(C1(O)I)C(=C)O)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

CO[C@H]1[C@@H](O[C@@H]([C@]1(O)I)C(=C)O)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C12H14IN5O4/c1-5(19)7-12(13,20)8(21-2)11(22-7)18-4-17-6-9(14)15-3-16-10(6)18/h3-4,7-8,11,19-20H,1H2,2H3,(H2,14,15,16)/t7-,8+,11-,12-/m1/s1