Ethanesulfonic acid, compd. with 3-[[[3-chloro-4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]amino]carbonyl]benzenesulfonyl fluoride (1:1)

CAS Registry Number®

22478-95-1

CAS Name

Ethanesulfonic acid, compd. with 3-[[[3-chloro-4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]amino]carbonyl]benzenesulfonyl fluoride (1:1)

Molecular Formula

C20H20ClFN6O4S.C2H6O3S

Cite this Page

Ethanesulfonic acid, compd. with 3-[[[3-chloro-4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]amino]carbonyl]benzenesulfonyl fluoride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22478-95-1 (retrieved 2024-09-27) (CAS RN: 22478-95-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H20ClFN6O4S.C2H6O3S/c21-15-10-12(26-19(29)11-3-1-4-13(9-11)33(22,30)31)6-7-16(15)32-8-2-5-14-17(23)27-20(25)28-18(14)24;1-2-6(3,4)5/h1,3-4,6-7,9-10H,2,5,8H2,(H,26,29)(H6,23,24,25,27,28);2H2,1H3,(H,3,4,5)

InChIKey

InChIKey=PBVSJONUWIGRKU-UHFFFAOYSA-N

SMILES

C(NC1=CC(Cl)=C(OCCCC=2C(N)=NC(N)=NC2N)C=C1)(=O)C3=CC(S(F)(=O)=O)=CC=C3.S(CC)(=O)(=O)O

Canonical SMILES

O=C(NC1=CC=C(OCCCC=2C(=NC(=NC2N)N)N)C(Cl)=C1)C3=CC=CC(=C3)S(=O)(=O)F.O=S(=O)(O)CC

Other Names for this Substance

  • Ethanesulfonic acid, compd. with 3-[[[3-chloro-4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]amino]carbonyl]benzenesulfonyl fluoride (1:1)
  • Ethanesulfonic acid, compd. with m-[[3-chloro-4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]carbamoyl]benzenesulfonyl fluoride (1:1)
  • Benzenesulfonyl fluoride, m-[[3-chloro-4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]carbamoyl]-, monoethanesulfonate
  • NSC 114923

CAS INSIGHTSTM
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