3,7-Dihydro-1,3-dimethyl-7-[(4-methyl-1-piperazinyl)methyl]-1H-purine-2,6-dione

CAS Registry Number®

71527-01-0

CAS Name

3,7-Dihydro-1,3-dimethyl-7-[(4-methyl-1-piperazinyl)methyl]-1H-purine-2,6-dione

Molecular Formula

C13H20N6O2

Molecular Mass

292.34

Cite this Page

3,7-Dihydro-1,3-dimethyl-7-[(4-methyl-1-piperazinyl)methyl]-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=71527-01-0 (retrieved 2024-11-23) (CAS RN: 71527-01-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    131 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H20N6O2/c1-15-4-6-18(7-5-15)9-19-8-14-11-10(19)12(20)17(3)13(21)16(11)2/h8H,4-7,9H2,1-3H3

InChIKey

InChIKey=ZWTJZSFDRNSUAS-UHFFFAOYSA-N

SMILES

C(N1C2=C(N(C)C(=O)N(C)C2=O)N=C1)N3CCN(C)CC3

Canonical SMILES

O=C1C2=C(N=CN2CN3CCN(C)CC3)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[(4-methyl-1-piperazinyl)methyl]-
  • Theophylline, 7-[(4-methyl-1-piperazinyl)methyl]-
  • 3,7-Dihydro-1,3-dimethyl-7-[(4-methyl-1-piperazinyl)methyl]-1H-purine-2,6-dione
  • NSC 130840
  • 1,3-Dimethyl-7-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione

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