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Substance Name: 3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-1,3-dimethyl-7-(2-(methyl-2-pyridinylamino)ethyl)-1H-purine-2,6-dione (1:1)
RN: 51246-39-0
InChIKey: MVHZUJQKGBEBCO-UHFFFAOYSA-N

Molecular Formula

  • C6-H5-N-O2.C15-H18-N6-O2

Molecular Weight

  • 437.4577
 
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Names and Synonyms

Synonym

  • 7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate

Systematic Name

  • 3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-1,3-dimethyl-7-(2-(methyl-2-pyridinylamino)ethyl)-1H-purine-2,6-dione (1:1)

Registry Numbers

CAS Registry Number

  • 51246-39-0

Other Registry Number

  • 50978-39-7

System Generated Number

  • 0051246390

Molecular Formulas

Molecular Formula

  • C6-H5-N-O2.C15-H18-N6-O2

Molecular Formula Fragments

  • C15-H18-N6-O2
  • C6-H5-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C15H18N6O2.C6H5NO2/c1-18(11-6-4-5-7-16-11)8-9-21-10-17-13-12(21)14(22)20(3)15(23)19(13)2;8-6(9)5-2-1-3-7-4-5/h4-7,10H,8-9H2,1-3H3;1-4H,(H,8,9)

InChIKey

MVHZUJQKGBEBCO-UHFFFAOYSA-N

Smiles

CN(CCn1cnc2N(C)C(=O)N(C)C(=O)c12)c3ccccn3.OC(=O)c4cccnc4