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-dioneMolecular Formula
C12H17N5O2Molecular Mass
263.30Cite 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 ) (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