6H-Purinium, 2-amino-1,7-dihydro-7,9-dimethyl-6-oxo-, inner salt

CAS Registry Number®

524-35-6

CAS Name

6H-Purinium, 2-amino-1,7-dihydro-7,9-dimethyl-6-oxo-, inner salt

Molecular Formula

C7H9N5O

Cite this Page

6H-Purinium, 2-amino-1,7-dihydro-7,9-dimethyl-6-oxo-, inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=524-35-6 (retrieved 2024-11-22) (CAS RN: 524-35-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C7H9N5O/c1-11-3-12(2)5-4(11)6(13)10-7(8)9-5/h3H,1-2H3,(H2-,8,9,10,13)

InChIKey

InChIKey=NAIGKGQHPIGYBB-UHFFFAOYSA-N

SMILES

CN1C2=C([N+](C)=C1)C(=O)N=C([NH-])N2

Canonical SMILES

O=C1N=C([NH-])NC2=C1[N+](=CN2C)C

Other Names for this Substance

  • 6H-Purinium, 2-amino-1,7-dihydro-7,9-dimethyl-6-oxo-, inner salt
  • Purinium, 2-amino-6-hydroxy-7,9-dimethyl-, hydroxide, inner salt
  • Herbipoline
  • 1H-Purinium, 2-amino-6,9-dihydro-7,9-dimethyl-6-oxo-, hydroxide, inner salt
  • 2-Amino-1,6-dihydro-7,9-dimethyl-6-oxopurinium hydroxide, inner salt

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Deleted or Replaced CAS Registry Numbers

12240-98-1, 46158-55-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration