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Substance Name: 9H-Purin-6-amine, 9-(4-chloro-1,2-butadienyl)-
RN: 117011-71-9
InChIKey: ZVKCHPLRXYPLFB-UHFFFAOYSA-N

Molecular Formula

  • C9-H8-Cl-N5

Molecular Weight

  • 221.6502
 
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Names and Synonyms

Synonyms

  • 9-(4-Chloro-1,2-butadine)adenine (R,S)
  • ClCH2CH=C=CH-adenine

Systematic Name

  • 9H-Purin-6-amine, 9-(4-chloro-1,2-butadienyl)-

Registry Numbers

CAS Registry Number

  • 117011-71-9

System Generated Number

  • 0117011719

Structure Descriptors

InChI

1S/C9H8ClN5/c10-3-1-2-4-15-6-14-7-8(11)12-5-13-9(7)15/h1,4-6H,3H2,(H2,11,12,13)

InChIKey

ZVKCHPLRXYPLFB-UHFFFAOYSA-N

Smiles

c1nc(c2c(n1)n(cn2)C=C=CCCl)N