| Formula |
C27H28FN7O4S |
| IUPAC Name |
n-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7h-purine-4,5,8,9-tetraid-8-yl]methyl]phenyl]-3-methyl-4h-imidazol-3-ium-4-ylium-5-sulfonamide |
| Molecular Mass |
565.619 g·mol−1 |
| Heat of Formation |
-500.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.19 ± 1.08 D |
| Volume |
655.28 Å 3 |
| Surface Area |
445.36 Å 2 |
| HOMO Energy |
-8.76 ± 0.55 eV |
| LUMO Energy |
-1.00 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- n-[4-[[3-butyl-1-(2-fluorobenzyl)-2,6-diketo-7h-purin-8-yl]methyl]phenyl]-1-methyl-imidazole-4-sulfonamide
- n-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7h-purin-8-yl]methyl]phenyl]-1-methyl-4-imidazolesulfonamide
- n-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7h-purin-8-yl]methyl]phenyl]-1-methyl-imidazole-4-sulfonamide
|
| InChIKey |
OWJCXBGUTOMZTE-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
F
H
O
N
S
|
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