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Substance Name: B 3839
RN: 81068-96-4
InChIKey: PDHDKLAKLKCEPQ-UHFFFAOYSA-N

Note

  • Molecular combination of 5-fluorouracil & chloroethylnitrosourea.

Molecular Weight

  • 353.7607
 
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Names and Synonyms

Name of Substance

  • B 3839

Synonym

  • B-3839

Systematic Name

  • Urea, N-(2-chloroethyl)-N'-(2-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-2-(methylthio)ethyl)-N-nitroso-

Registry Numbers

CAS Registry Number

  • 81068-96-4

System Generated Number

  • 0081068964

Structure Descriptors

InChI

1S/C10H13ClFN5O4S/c1-22-7(4-13-9(19)17(15-21)3-2-11)16-5-6(12)8(18)14-10(16)20/h5,7H,2-4H2,1H3,(H,13,19)(H,14,18,20)

InChIKey

PDHDKLAKLKCEPQ-UHFFFAOYSA-N

Smiles

CSC(CNC(=O)N(CCCl)N=O)n1cc(c(=O)[nH]c1=O)F