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Substance Name: NSC111726
RN: 19161-90-1
InChIKey: PEHJQKXBMGWRFP-UHFFFAOYSA-N

Molecular Formula

  • C22-H27-Br-N6-O3

Molecular Weight

  • 503.3983
 
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Names and Synonyms

Results Name

  • NSC111726

Synonym

  • NSC 111726

Systematic Name

  • Acetamide, 2-bromo-N-(3-(3-(3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)propoxy)phenyl)-

Registry Numbers

CAS Registry Number

  • 19161-90-1

System Generated Number

  • 0019161901

Structure Descriptors

InChI

1S/C22H27BrN6O3/c1-22(2)28-20(24)27-21(25)29(22)16-7-4-9-18(13-16)32-11-5-10-31-17-8-3-6-15(12-17)26-19(30)14-23/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3,(H,26,30)(H4,24,25,27,28)

InChIKey

PEHJQKXBMGWRFP-UHFFFAOYSA-N

Smiles

CC1(N=C(N=C(N1c2cccc(c2)OCCCOc3cccc(c3)NC(=O)CBr)N)N)C