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Substance Name: 9H-Purin-6-amine, 9-(2-(butylamino)-2-deoxy-5-O-((4-methoxyphenyl)diphenylmethyl)-beta-D-xylofuranosyl)-N-((4-methoxyphenyl)diphenylmethyl)-
RN: 134934-73-9
InChIKey: OBWLQUVORXUAAG-OMWPHUTCSA-N

Molecular Formula

  • C54-H54-N6-O5

Molecular Weight

  • 867.0576
 
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Names and Synonyms

Synonyms

  • 2'-n-Butylamino-5',N6-bis(4-methoxytrityl)-2'-deoxyadenosine
  • 2'BuNH-5',N6(4MeOTrityl)dA

Systematic Name

  • 9H-Purin-6-amine, 9-(2-(butylamino)-2-deoxy-5-O-((4-methoxyphenyl)diphenylmethyl)-beta-D-xylofuranosyl)-N-((4-methoxyphenyl)diphenylmethyl)-

Registry Numbers

CAS Registry Number

  • 134934-73-9

System Generated Number

  • 0134934739

Structure Descriptors

InChI

1S/C54H54N6O5/c1-4-5-34-55-47-49(61)46(35-64-54(41-22-14-8-15-23-41,42-24-16-9-17-25-42)43-28-32-45(63-3)33-29-43)65-52(47)60-37-58-48-50(56-36-57-51(48)60)59-53(38-18-10-6-11-19-38,39-20-12-7-13-21-39)40-26-30-44(62-2)31-27-40/h6-33,36-37,46-47,49,52,55,61H,4-5,34-35H2,1-3H3,(H,56,57,59)/t46-,47-,49+,52-/m1/s1

InChIKey

OBWLQUVORXUAAG-OMWPHUTCSA-N

Smiles

CCCCN[C@@H]1[C@H]([C@H](O[C@H]1n2cnc3c2ncnc3NC(c4ccccc4)(c5ccccc5)c6ccc(cc6)OC)COC(c7ccccc7)(c8ccccc8)c9ccc(cc9)OC)O