3,9-Dihydro-1,3-dimethyl-8-(1-piperidinyl)-1H-purine-2,6-dione

CAS Registry Number®

961-48-8
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CAS Name

3,9-Dihydro-1,3-dimethyl-8-(1-piperidinyl)-1H-purine-2,6-dione

Molecular Formula

C12H17N5O2

Molecular Mass

263.30

Cite this Page

3,9-Dihydro-1,3-dimethyl-8-(1-piperidinyl)-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=961-48-8 (retrieved 2024-09-05) (CAS RN: 961-48-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    302 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H17N5O2/c1-15-9-8(10(18)16(2)12(15)19)13-11(14-9)17-6-4-3-5-7-17/h3-7H2,1-2H3,(H,13,14)

InChIKey

InChIKey=PERZKTBWYMZWBI-UHFFFAOYSA-N

SMILES

O=C1C2=C(N=C(N2)N3CCCCC3)N(C)C(=O)N1C

Canonical SMILES

O=C1C=2NC(=NC2N(C(=O)N1C)C)N3CCCCC3

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-8-(1-piperidinyl)-
  • Theophylline, 8-piperidino-
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(1-piperidinyl)-
  • 3,9-Dihydro-1,3-dimethyl-8-(1-piperidinyl)-1H-purine-2,6-dione
  • NSC 14311