4-(2-Amino-4-pyrimidinyl)benzoic acid

CAS Registry Number®

216959-98-7
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CAS Name

4-(2-Amino-4-pyrimidinyl)benzoic acid

Molecular Formula

C11H9N3O2

Molecular Mass

215.21

Cite this Page

4-(2-Amino-4-pyrimidinyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=216959-98-7 (retrieved 2024-06-27) (CAS RN: 216959-98-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H9N3O2/c12-11-13-6-5-9(14-11)7-1-3-8(4-2-7)10(15)16/h1-6H,(H,15,16)(H2,12,13,14)

InChIKey

InChIKey=STTNRXJTCMXMSX-UHFFFAOYSA-N

SMILES

NC=1N=C(C2=CC=C(C(O)=O)C=C2)C=CN1

Canonical SMILES

O=C(O)C=1C=CC(=CC1)C2=NC(=NC=C2)N

Other Names for this Substance

  • Benzoic acid, 4-(2-amino-4-pyrimidinyl)-
  • 4-(2-Amino-4-pyrimidinyl)benzoic acid
  • 4-(2-Aminopyrimidin-4-yl)benzoic acid