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Substance Name: Nitrobenzylthioinosine 5'-monophosphate
RN: 65199-10-2
InChIKey: RMYYPCIAJWYVHZ-LSCFUAHRSA-N

Molecular Formula

  • C17-H18-N5-O9-P-S

Molecular Weight

  • 499.395
 
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Names and Synonyms

Name of Substance

  • Nitrobenzylthioinosine 5'-monophosphate

Synonyms

  • 6-S-((4-Nitrophenyl)methyl)-6-thio-5'-inosinic acid
  • Nbmpr-P

Systematic Names

  • 5'-Inosinic acid, 6-S-((4-nitrophenyl)methyl)-6-thio-
  • 9H-Purine, 6-(((4-nitrophenyl)methyl)thio)-9-(5-O-phosphono-beta-D-ribofuranosyl)-

Registry Numbers

CAS Registry Number

  • 65199-10-2

System Generated Number

  • 0065199102

Structure Descriptors

InChI

1S/C17H18N5O9PS/c23-13-11(5-30-32(27,28)29)31-17(14(13)24)21-8-20-12-15(21)18-7-19-16(12)33-6-9-1-3-10(4-2-9)22(25)26/h1-4,7-8,11,13-14,17,23-24H,5-6H2,(H2,27,28,29)/t11-,13-,14-,17-/m1/s1

InChIKey

RMYYPCIAJWYVHZ-LSCFUAHRSA-N

Smiles

O1[C@H](COP(=O)(O)O)[C@H]([C@H]([C@@H]1n1cnc2c(SCc3ccc(cc3)[N+](=O)[O-])ncnc12)O)O