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Substance Name: 8-Allyloxycaffeine
RN: 6287-60-1
UNII: 5LL9N7JP3P
InChIKey: CUNHAYVBWYPKEL-UHFFFAOYSA-N

Molecular Formula

  • C11-H14-N4-O3

Molecular Weight

  • 250.257
 
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Names and Synonyms

Name of Substance

  • 8-Allyloxycaffeine

Synonyms

  • 8-Allyloxycaffeine
  • NSC 8814
  • UNII-5LL9N7JP3P

Systematic Name

  • Caffeine, 8-(allyloxy)- (8CI)

Registry Numbers

CAS Registry Number

  • 6287-60-1

FDA UNII

  • 5LL9N7JP3P

System Generated Number

  • 0006287601

Structure Descriptors

InChI

InChI=1S/C11H14N4O3/c1-5-6-18-10-12-8-7(13(10)2)9(16)15(4)11(17)14(8)3/h5H,1,6H2,2-4H3

InChIKey

CUNHAYVBWYPKEL-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2nc(OCC=C)n(C)c2C1=O