| Formula |
C20H28N6O |
| IUPAC Name |
(2r)-2-[[6-[benzyl(methyl)amino]-9-isopropyl-purin-9-ium-3-id-2-yl]amino]butan-1-ol |
| Molecular Mass |
368.476 g·mol−1 |
| Heat of Formation |
48.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.84 ± 1.08 D |
| Volume |
471.52 Å 3 |
| Surface Area |
396.85 Å 2 |
| HOMO Energy |
-8.16 ± 0.55 eV |
| LUMO Energy |
2.98 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2r)-2-({6-[benzyl(methyl)amino]-9-isopropyl-9h-purin-2-yl}amino)butan-1-ol
- (2r)-2-[[6-(benzyl-methyl-amino)-9-isopropyl-purin-2-yl]amino]butan-1-ol
- (2r)-2-[[6-(methyl-(phenylmethyl)amino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
- (2r)-2-[[9-isopropyl-6-(methyl-(phenylmethyl)amino)-2-purinyl]amino]butan-1-ol
- (2r)-2-[[9-isopropyl-6-(methyl-(phenylmethyl)amino)purin-2-yl]amino]butan-1-ol
- n6-methyl-(r)-roscovitine, r-2-[6-(benzyl-methyl-amino)-9-isopropyl-9h-purin-2-ylamino]-butan-1-ol
|
| InChIKey |
YPYWONAECUVKHY-MRXNPFEDSA-N |
| QR Code |
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| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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