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Substance Name: Thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine
RN: 132247-55-3
InChIKey: CIIPJEGMPGGKAM-GDVJQSGWSA-N

Molecular Formula

  • C21-H28-N6-O9

Molecular Weight

  • 508.4852
 
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Names and Synonyms

Name of Substance

  • Thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine

Synonym

  • NH2d(Tcmt)

Systematic Name

  • Thymidine, 5'-amino-3'-O-carbonyl-5'-deoxy-3'-O-dephosphinicothymidylyl-(3'-5')-5'-amino-5'-deoxy-

Registry Numbers

CAS Registry Number

  • 132247-55-3

System Generated Number

  • 0132247553

Structure Descriptors

InChI

1S/C21H28N6O9/c1-9-7-26(19(31)24-16(9)29)14-3-11(5-22)18(35-14)36-21(33)23-6-13-12(28)4-15(34-13)27-8-10(2)17(30)25-20(27)32/h7-8,11-15,18,28H,3-6,22H2,1-2H3,(H,23,33)(H,24,29,31)(H,25,30,32)/t11-,12+,13-,14+,15-,18-/m1/s1

InChIKey

CIIPJEGMPGGKAM-GDVJQSGWSA-N

Smiles

Cc1cn(c(=O)[nH]c1=O)[C@@H]2C[C@@H]([C@H](O2)OC(=O)NC[C@@H]3[C@H](C[C@@H](O3)n4cc(c(=O)[nH]c4=O)C)O)CN