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Substance Name: 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine
RN: 109982-34-5
InChIKey: DKVZUGNICGXNBN-IWCJZZDYSA-N

Molecular Formula

  • C17-H16-I-N5-O7-S

Molecular Weight

  • 561.3074
 
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Names and Synonyms

Name of Substance

  • 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine

Synonyms

  • 2-Iodo-4-nitro-6-(((9-beta-D-ribofuranosyl-9H-purin-6-yl)thio)methyl)phenol
  • IH-Nbmpr
  • Iodohydroxynitrobenzylthioinosine

Systematic Name

  • Phenol, 2-iodo-4-nitro-6-(((9-beta-D-ribofuranosyl-9H-purin-6-yl)thio)methyl)-

Registry Numbers

CAS Registry Number

  • 109982-34-5

System Generated Number

  • 0109982345

Structure Descriptors

InChI

1S/C17H16IN5O7S/c18-9-2-8(23(28)29)1-7(12(9)25)4-31-16-11-15(19-5-20-16)22(6-21-11)17-14(27)13(26)10(3-24)30-17/h1-2,5-6,10,13-14,17,24-27H,3-4H2/t10-,13-,14-,17-/m1/s1

InChIKey

DKVZUGNICGXNBN-IWCJZZDYSA-N

Smiles

c1c(cc(c(c1CSc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)O)I)[N+](=O)[O-]