3-Pyridinecarboxylic acid, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester

CAS Registry Number®

13425-39-3

CAS Name

3-Pyridinecarboxylic acid, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester

Molecular Formula

C15H15N5O4

Molecular Mass

329.31

Cite this Page

3-Pyridinecarboxylic acid, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13425-39-3 (retrieved 2024-11-25) (CAS RN: 13425-39-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    151-152 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C15H15N5O4/c1-18-12-11(13(21)19(2)15(18)23)20(9-17-12)6-7-24-14(22)10-4-3-5-16-8-10/h3-5,8-9H,6-7H2,1-2H3

InChIKey

InChIKey=ZWIAODBBEZGVPY-UHFFFAOYSA-N

SMILES

C(COC(=O)C=1C=CC=NC1)N2C3=C(N=C2)N(C)C(=O)N(C)C3=O

Canonical SMILES

O=C(OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C=3C=NC=CC3

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
  • Nicotinic acid, ester with 7-(2-hydroxyethyl)theophylline
  • Theophylline, 7-(2-hydroxyethyl)-, nicotinate (ester)
  • Hesotanol
  • Hesotin

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