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Substance Name: 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 4-chlorophenyl 2-cyanoethylester
RN: 67221-64-1
InChIKey: YAODQBJEBUFOER-SDHLMFEHSA-N

Molecular Formula

  • C26-H24-Cl-N6-O7-P

Molecular Weight

  • 598.9376
 
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Names and Synonyms

Synonym

  • EINECS 266-610-6

Systematic Name

  • 3'-Adenylic acid, N-benzoyl-2'-deoxy-, 4-chlorophenyl 2-cyanoethylester

Registry Numbers

CAS Registry Number

  • 67221-64-1

System Generated Number

  • 0067221641

Structure Descriptors

InChI

1S/C26H24ClN6O7P/c27-18-7-9-19(10-8-18)39-41(36,37-12-4-11-28)40-20-13-22(38-21(20)14-34)33-16-31-23-24(29-15-30-25(23)33)32-26(35)17-5-2-1-3-6-17/h1-3,5-10,15-16,20-22,34H,4,12-14H2,(H,29,30,32,35)/t20-,21+,22+,41?/m0/s1

InChIKey

YAODQBJEBUFOER-SDHLMFEHSA-N

Smiles

c1ccc(cc1)C(=O)Nc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)CO)OP(=O)(OCCC#N)Oc5ccc(cc5)Cl