| Formula |
C19H21N7O2 |
| IUPAC Name |
7-but-2-ynyl-9-(6-methoxy-3-pyridyl)-6-piperazin-1-yl-purin-8-one |
| Molecular Mass |
379.416 g·mol−1 |
| Heat of Formation |
284.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.21 ± 1.08 D |
| Volume |
443.2 Å 3 |
| Surface Area |
374.22 Å 2 |
| HOMO Energy |
-8.61 ± 0.55 eV |
| LUMO Energy |
-0.55 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 7-but-2-ynyl-9-(6-methoxy-3-pyridyl)-6-(1-piperazinyl)-8-purinone
- 7-but-2-ynyl-9-(6-methoxy-3-pyridyl)-6-piperazin-1-yl-purin-8-one
- 7-but-2-ynyl-9-(6-methoxypyridin-3-yl)-6-piperazin-1-yl-purin-8-one
|
| InChIKey |
DKHHDEIZLVCHEA-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
H
C
O
N
|
| |
|
