Pyrabrom

CAS Registry Number®

606-05-3

CAS Name

Pyrabrom

Molecular Formula

C17H23N3O.C7H7BrN4O2

Cite this Page

Pyrabrom.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=606-05-3 (retrieved 2024-11-22) (CAS RN: 606-05-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H23N3O.C7H7BrN4O2/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-11H,12-14H2,1-3H3;1-2H3,(H,9,10)

InChIKey

InChIKey=XMOLCXIDFCGXAR-UHFFFAOYSA-N

SMILES

O=C1C2=C(N(C)C(=O)N1C)N=C(Br)N2.N(CC1=CC=C(OC)C=C1)(CCN(C)C)C2=CC=CC=N2

Canonical SMILES

O=C1C=2NC(Br)=NC2N(C(=O)N1C)C.N=1C=CC=CC1N(CC2=CC=C(OC)C=C2)CCN(C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 8-bromo-3,9-dihydro-1,3-dimethyl-, compd. with N1-[(4-methoxyphenyl)methyl]-N2,N2-dimethyl-N1-2-pyridinyl-1,2-ethanediamine (1:1)
  • Theophylline, 8-bromo-, compd. with 2-[[2-(dimethylamino)ethyl](p-methoxybenzyl)amino]pyridine (1:1)
  • 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl-, compd. with N-[(4-methoxyphenyl)methyl]-N′,N′-dimethyl-N-2-pyridinyl-1,2-ethanediamine (1:1)
  • Pyridine, 2-[[2-(dimethylamino)ethyl](p-methoxybenzyl)amino]-, compd. with 8-bromotheophylline (1:1)
  • 1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N′,N′-dimethyl-N-2-pyridinyl-, compd. with 8-bromo-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration