3-Pyridinecarboxylic acid, compd. with 3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)

CAS Registry Number®

32059-19-1

CAS Name

3-Pyridinecarboxylic acid, compd. with 3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)

Molecular Formula

C7H8N4O2.C6H5NO2

Cite this Page

3-Pyridinecarboxylic acid, compd. with 3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=32059-19-1 (retrieved 2025-01-05) (CAS RN: 32059-19-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C7H8N4O2.C6H5NO2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;8-6(9)5-2-1-3-7-4-5/h3H,1-2H3,(H,8,9);1-4H,(H,8,9)

InChIKey

InChIKey=FWZBHOANBPBKHU-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1C=CC=NC1.O=C1C2=C(N(C)C(=O)N1C)N=CN2

Canonical SMILES

O=C(O)C=1C=NC=CC1.O=C1C=2NC=NC2N(C(=O)N1C)C

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, compd. with 3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)
  • Nicotinic acid, compd. with theophylline (1:1)
  • Theophylline nicotinate
  • NSC 142642

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