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Substance Name: 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine
RN: 116370-33-3
InChIKey: SNXXCTYQLMITSG-ONBQKKEBSA-N

Molecular Formula

  • C21-H24-I-N7-O2

Molecular Weight

  • 531.4676
 
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Names and Synonyms

Name of Substance

  • 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine

Synonyms

  • 3-(2-(4-Azido-3-(iodo-125I)phenyl)ethyl)-8-cyclopentyl-3,7-dihydro-1-propyl-1H-purine-2,6-dione
  • 3-(3-Iodo-4-azido)phenethyl-1-propyl-8-cyclopentylxanthine
  • I-Azido-BW-A844U
  • I-Azido-bwa844U

Systematic Name

  • 1H-Purine-2,6-dione, 3-(2-(4-azido-3-(iodo-125I)phenyl)ethyl)-8-cyclopentyl-3,7-dihydro-1-propyl-

Registry Numbers

CAS Registry Number

  • 116370-33-3

System Generated Number

  • 0116370333

Structure Descriptors

InChI

1S/C21H24IN7O2/c1-2-10-29-20(30)17-19(25-18(24-17)14-5-3-4-6-14)28(21(29)31)11-9-13-7-8-16(26-27-23)15(22)12-13/h7-8,12,14H,2-6,9-11H2,1H3,(H,24,25)/i22-2

InChIKey

SNXXCTYQLMITSG-ONBQKKEBSA-N

Smiles

CCCn1c(=O)c2c(nc([nH]2)C3CCCC3)n(c1=O)CCc4ccc(c(c4)[125I])N=[N+]=[N-]