3,7-Dihydro-1,3-dimethyl-7-(2-oxopropyl)-8-(1-piperidinylmethyl)-1H-purine-2,6-dione

CAS Registry Number®

860710-40-3
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CAS Name

3,7-Dihydro-1,3-dimethyl-7-(2-oxopropyl)-8-(1-piperidinylmethyl)-1H-purine-2,6-dione

Molecular Formula

C16H23N5O3

Molecular Mass

333.39

Cite this Page

3,7-Dihydro-1,3-dimethyl-7-(2-oxopropyl)-8-(1-piperidinylmethyl)-1H-purine-2,6-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=860710-40-3 (retrieved 2024-09-07) (CAS RN: 860710-40-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    168-169 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H23N5O3/c1-11(22)9-21-12(10-20-7-5-4-6-8-20)17-14-13(21)15(23)19(3)16(24)18(14)2/h4-10H2,1-3H3

InChIKey

InChIKey=MABAPUOSUSYIKG-UHFFFAOYSA-N

SMILES

C(C(C)=O)N1C2=C(N=C1CN3CCCCC3)N(C)C(=O)N(C)C2=O

Canonical SMILES

O=C1C2=C(N=C(N2CC(=O)C)CN3CCCCC3)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-oxopropyl)-8-(1-piperidinylmethyl)-
  • Theophylline, 7-acetonyl-8-piperidinomethyl-
  • 3,7-Dihydro-1,3-dimethyl-7-(2-oxopropyl)-8-(1-piperidinylmethyl)-1H-purine-2,6-dione
  • 1,3-Dimethyl-7-(2-oxopropyl)-8-[(piperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione