Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, methyl ester

CAS Registry Number®

917392-54-2

CAS Name

Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, methyl ester

Molecular Formula

C18H16N4O2

Molecular Mass

320.35

Cite this Page

Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=917392-54-2 (retrieved 2024-11-22) (CAS RN: 917392-54-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    117 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H16N4O2/c1-12-5-6-13(17(23)24-2)10-16(12)22-18-20-9-7-15(21-18)14-4-3-8-19-11-14/h3-11H,1-2H3,(H,20,21,22)

InChIKey

InChIKey=BECBKQYLJDEVDN-UHFFFAOYSA-N

SMILES

N(C=1N=C(C=CN1)C=2C=CC=NC2)C3=CC(C(OC)=O)=CC=C3C

Canonical SMILES

O=C(OC)C1=CC=C(C(=C1)NC=2N=CC=C(N2)C3=CN=CC=C3)C

Other Names for this Substance

  • Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, methyl ester
  • Methyl 4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]benzoate

CAS INSIGHTSTM
Hourglass and a clock