4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile

CAS Registry Number®

189956-45-4

CAS Name

4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile

Molecular Formula

C11H8N4O

Molecular Mass

212.21

Cite this Page

4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=189956-45-4 (retrieved 2024-11-22) (CAS RN: 189956-45-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H8N4O/c12-7-8-1-3-9(4-2-8)14-11-13-6-5-10(16)15-11/h1-6H,(H2,13,14,15,16)

InChIKey

InChIKey=BBNOJNASJQRRSH-UHFFFAOYSA-N

SMILES

N(C1=CC=C(C#N)C=C1)C=2NC(=O)C=CN2

Canonical SMILES

N#CC1=CC=C(C=C1)NC2=NC=CC(=O)N2

Other Names for this Substance

  • Benzonitrile, 4-[(1,4-dihydro-4-oxo-2-pyrimidinyl)amino]-
  • 4-[(1,4-Dihydro-4-oxo-2-pyrimidinyl)amino]benzonitrile
  • 4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile
  • 4-[(6-Oxo-1,6-dihydropyrimidin-2-yl)amino]benzonitrile

Deleted or Replaced CAS Registry Numbers

1238341-54-2