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Substance Name: Thymidine, 3'-deoxy-3'-((thioxo(tricyclo(3.3.1.13,7)dec-1-ylamino)methyl)amino)-
RN: 132177-77-6
InChIKey: IQEZABZYUXIOMC-YOMYUQHKSA-N

Molecular Formula

  • C21-H30-N4-O4-S

Molecular Weight

  • 434.558
 
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Names and Synonyms

Synonyms

  • 3'(3Adamanthylthioureido)-3'dT
  • 3'-(3-Adamantylthioureido)-3'-deoxythymidine

Systematic Name

  • Thymidine, 3'-deoxy-3'-((thioxo(tricyclo(3.3.1.13,7)dec-1-ylamino)methyl)amino)-

Registry Numbers

CAS Registry Number

  • 132177-77-6

System Generated Number

  • 0132177776

Structure Descriptors

InChI

1S/C21H30N4O4S/c1-11-9-25(20(28)23-18(11)27)17-5-15(16(10-26)29-17)22-19(30)24-21-6-12-2-13(7-21)4-14(3-12)8-21/h9,12-17,26H,2-8,10H2,1H3,(H2,22,24,30)(H,23,27,28)/t12?,13?,14?,15-,16+,17+,21?/m0/s1

InChIKey

IQEZABZYUXIOMC-YOMYUQHKSA-N

Smiles

Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=S)NC34CC5CC(C3)CC(C5)C4