Ethanesulfonic acid, compd. with 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]methyl]-N,N-dimethylbenzamide (1:1)

CAS Registry Number®

41191-04-2

CAS Name

Ethanesulfonic acid, compd. with 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]methyl]-N,N-dimethylbenzamide (1:1)

Molecular Formula

C21H25ClN6O2.C2H6O3S

Cite this Page

Ethanesulfonic acid, compd. with 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]methyl]-N,N-dimethylbenzamide (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=41191-04-2 (retrieved 2025-01-02) (CAS RN: 41191-04-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H25ClN6O2.C2H6O3S/c1-21(2)26-19(23)25-20(24)28(21)15-8-9-17(16(22)11-15)30-12-13-6-5-7-14(10-13)18(29)27(3)4;1-2-6(3,4)5/h5-11H,12H2,1-4H3,(H4,23,24,25,26);2H2,1H3,(H,3,4,5)

InChIKey

InChIKey=HKPVIFTWECXNPY-UHFFFAOYSA-N

SMILES

CC1(C)N(C(N)=NC(N)=N1)C2=CC(Cl)=C(OCC3=CC(C(N(C)C)=O)=CC=C3)C=C2.S(CC)(=O)(=O)O

Canonical SMILES

O=C(C1=CC=CC(=C1)COC2=CC=C(C=C2Cl)N3C(=NC(=NC3(C)C)N)N)N(C)C.O=S(=O)(O)CC

Other Names for this Substance

  • Ethanesulfonic acid, compd. with 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]methyl]-N,N-dimethylbenzamide (1:1)
  • Benzamide, 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]methyl]-N,N-dimethyl-, monoethanesulfonate
  • 1-[3-Chloro-4-(m-dimethylcarbamoylbenzyloxy)phenyl]-4,6-diamino-1,2-dihydro-2,2-dimethyl-s-triazine ethanesulfonate
  • Triazinate
  • NSC 139105

View All

Deleted or Replaced CAS Registry Numbers

50508-16-2, 52756-68-0

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