Formula |
C23H30N6O3 |
IUPAC Name |
5-(5-acetyl-2-butoxy-3-pyridyl)-3-ethyl-2-(1-ethylazetidin-3-yl)-4h-pyrazolo[4,3-d]pyrimidin-7-one |
Molecular Mass |
438.523 g·mol−1 |
Heat of Formation |
-118.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.28 ± 1.08 D |
Volume |
536.45 Å 3 |
Surface Area |
449.2 Å 2 |
HOMO Energy |
-8.72 ± 0.55 eV |
LUMO Energy |
1.85 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-(2-butoxy-5-ethanoyl-pyridin-3-yl)-3-ethyl-2-(1-ethylazetidin-3-yl)-4h-pyrazolo[3,4-e]pyrimidin-7-one
- 5-(5-acetyl-2-butoxy-3-pyridyl)-3-ethyl-2-(1-ethyl-3-azetidinyl)-4h-pyrazolo[3,4-e]pyrimidin-7-one
- 5-(5-acetyl-2-butoxy-3-pyridyl)-3-ethyl-2-(1-ethylazetidin-3-yl)-4h-pyrazolo[3,4-e]pyrimidin-7-one
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InChIKey |
INLBUQIADGPECI-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
O
N
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