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Substance Name: 9H-Purin-6-amine, 9-(2-deoxy-2-((1,1-dimethylethyl)amino)-5-O-((4-methoxyphenyl)diphenylmethyl)-beta-D-xylofuranosyl)-N-((4-methoxyphenyl)diphenylmethyl)-
RN: 134934-75-1
InChIKey: NLTUNDLNRRYHSZ-SFJFQMGESA-N

Molecular Formula

  • C54-H54-N6-O5

Molecular Weight

  • 867.0576
 
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Names and Synonyms

Synonyms

  • 2'-(t-Butylamino)-5',N6-bis(4-methoxytrityl)-2'-deoxyadenosine
  • 2'tBuNH-5',N6(4MeOTrityl)dA

Systematic Name

  • 9H-Purin-6-amine, 9-(2-deoxy-2-((1,1-dimethylethyl)amino)-5-O-((4-methoxyphenyl)diphenylmethyl)-beta-D-xylofuranosyl)-N-((4-methoxyphenyl)diphenylmethyl)-

Registry Numbers

CAS Registry Number

  • 134934-75-1

System Generated Number

  • 0134934751

Structure Descriptors

InChI

1S/C54H54N6O5/c1-52(2,3)58-46-48(61)45(34-64-54(40-22-14-8-15-23-40,41-24-16-9-17-25-41)42-28-32-44(63-5)33-29-42)65-51(46)60-36-57-47-49(55-35-56-50(47)60)59-53(37-18-10-6-11-19-37,38-20-12-7-13-21-38)39-26-30-43(62-4)31-27-39/h6-33,35-36,45-46,48,51,58,61H,34H2,1-5H3,(H,55,56,59)/t45-,46-,48+,51-/m1/s1

InChIKey

NLTUNDLNRRYHSZ-SFJFQMGESA-N

Smiles

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