Formula |
C19H22FIN6O2 |
IUPAC Name |
2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]purin-6-amine |
Molecular Mass |
512.320 g·mol−1 |
Heat of Formation |
-109.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.42 ± 1.08 D |
Volume |
491.36 Å 3 |
Surface Area |
383.17 Å 2 |
HOMO Energy |
-8.60 ± 0.55 eV |
LUMO Energy |
2.53 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-fluoro-8-((6-iodobenzo[d][1,3]dioxol-5-yl)methyl)-9-(3-(isopropylamino)propyl)-9h-purin-6-amine
- 2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]-6-purinamine
- 2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]purin-6-amine
- 3-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]propyl-isopropyl-amine
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InChIKey |
JPPCGDGMQGJGQK-UHFFFAOYSA-N |
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Links |
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Elements |
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