4-[[6-Amino-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile

CAS Registry Number®

939431-68-2
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CAS Name

4-[[6-Amino-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile

Molecular Formula

C20H16N6O

Molecular Mass

356.38

Cite this Page

4-[[6-Amino-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=939431-68-2 (retrieved 2024-07-04) (CAS RN: 939431-68-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    284.5-287 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H16N6O/c1-12-7-15(11-22)8-13(2)19(12)27-18-9-17(23)25-20(26-18)24-16-5-3-14(10-21)4-6-16/h3-9H,1-2H3,(H3,23,24,25,26)

InChIKey

InChIKey=QELKPCHCXREHAE-UHFFFAOYSA-N

SMILES

O(C1=NC(NC2=CC=C(C#N)C=C2)=NC(N)=C1)C3=C(C)C=C(C#N)C=C3C

Canonical SMILES

N#CC1=CC=C(C=C1)NC2=NC(OC=3C(=CC(C#N)=CC3C)C)=CC(=N2)N

Other Names for this Substance

  • Benzonitrile, 4-[[6-amino-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-
  • 4-[[6-Amino-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile

Deleted or Replaced CAS Registry Numbers

1415796-16-5