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Substance Name: 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid
RN: 113942-32-8
InChIKey: FOGTXLLWVRUBDH-UHFFFAOYSA-N

Molecular Formula

  • C7-H6-Cl-N5-O3

Molecular Weight

  • 243.6094
 
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Names and Synonyms

Name of Substance

  • 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid

Synonyms

  • 3-(2-Chloroethyl)-3,4-dihydro-4-oxoimidazo(5,1-a)-1,2,3,5-tetrazine-8-carboxylic acid
  • 3-Coitc

Systematic Name

  • Imidazo(5,1-a)-1,2,3,5-tetrazine-8-carboxylic acid, 3-(2-chloroethyl)-3,4-dihydro-4-oxo-

Registry Numbers

CAS Registry Number

  • 113942-32-8

System Generated Number

  • 0113942328

Structure Descriptors

InChI

1S/C7H6ClN5O3/c8-1-2-13-7(16)12-3-9-4(6(14)15)5(12)10-11-13/h3H,1-2H2,(H,14,15)

InChIKey

FOGTXLLWVRUBDH-UHFFFAOYSA-N

Smiles

OC(=O)c1ncn2C(=O)N(CCCl)N=Nc12