[(1S,2S,4S,5R)-2-[2-iodanyl-6-(methylamino)purin-9-yl]-4-phosphonooxy-5-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate

Systemtic Name: [(1S,2S,4S,5R)-2-[2-iodanyl-6-(methylamino)purin-9-yl]-4-phosphonooxy-5-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate Openeye Name: [(1S,2S,4S,5R)-2-[2-iodo-6-(methylamino)purin-9-yl]-4-phosphonooxy-5-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate CAS Name: [(1S,2S,4S,5R)-2-[2-iodo-6-(methylamino)-9-purinyl]-4-phosphonooxy-5-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate IUPAC Name: [(1S,2S,4S,5R)-2-[2-iodo-6-(methylamino)purin-9-yl]-4-phosphonooxy-5-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate Traditional Name: [(1S,2S,4S,5R)-2-[2-iodo-6-(methylamino)purin-9-yl]-4-phosphonooxy-5-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate Formula: C13H18IN5O8P2 MolecularWeight: 561.162712

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3CC(C4(C3C4)COP(=O)(O)O)OP(=O)(O)O)I

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)O)OP(=O)(O)O)I

InChI

InChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1