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Substance Name: 9H-Purin-6-amine, 9-(3-deoxy-3-(dibutylamino)-5-O-((4-methoxyphenyl)diphenylmethyl)-beta-D-arabinofuranosyl)-N-((4-methoxyphenyl)diphenylmethyl)-
RN: 134934-67-1
InChIKey: XFFHIVTVTPXQRW-WULCZDGASA-N

Molecular Formula

  • C58-H62-N6-O5

Molecular Weight

  • 923.1648
 
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Names and Synonyms

Synonyms

  • 3'-(N,N-Di-n-butylamino)-5',N6-bis(4-methoxytrityl)-3'-deoxyadenosine
  • 3'DiBuNH-5',N6(4MeOTrityl)dA

Systematic Name

  • 9H-Purin-6-amine, 9-(3-deoxy-3-(dibutylamino)-5-O-((4-methoxyphenyl)diphenylmethyl)-beta-D-arabinofuranosyl)-N-((4-methoxyphenyl)diphenylmethyl)-

Registry Numbers

CAS Registry Number

  • 134934-67-1

System Generated Number

  • 0134934671

Structure Descriptors

InChI

1S/C58H62N6O5/c1-5-7-37-63(38-8-6-2)52-50(39-68-58(45-25-17-11-18-26-45,46-27-19-12-20-28-46)47-31-35-49(67-4)36-32-47)69-56(53(52)65)64-41-61-51-54(59-40-60-55(51)64)62-57(42-21-13-9-14-22-42,43-23-15-10-16-24-43)44-29-33-48(66-3)34-30-44/h9-36,40-41,50,52-53,56,65H,5-8,37-39H2,1-4H3,(H,59,60,62)/t50-,52-,53+,56-/m1/s1

InChIKey

XFFHIVTVTPXQRW-WULCZDGASA-N

Smiles

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