Formula |
C22H28F2N6O2 |
IUPAC Name |
2-butoxy-9-[(2,6-difluorophenyl)methyl]-n-(2-morpholinoethyl)purin-9-ium-2-ylium-6-amine |
Molecular Mass |
446.494 g·mol−1 |
Heat of Formation |
-403.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.27 ± 1.08 D |
Volume |
531.29 Å 3 |
Surface Area |
425.57 Å 2 |
HOMO Energy |
-8.36 ± 0.55 eV |
LUMO Energy |
-0.57 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-butoxy-9-[(2,6-difluorophenyl)methyl]-n-(2-morpholinoethyl)-6-purinamine
- 2-butoxy-9-[(2,6-difluorophenyl)methyl]-n-(2-morpholinoethyl)purin-6-amine
- [2-butoxy-9-(2,6-difluorobenzyl)purin-6-yl]-(2-morpholinoethyl)amine
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InChIKey |
UGZWPZWADDDTRN-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
F
O
N
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