Formula |
C18H21IN6O2S |
IUPAC Name |
8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(isopropylamino)propyl]purin-9-ium-6-amine |
Molecular Mass |
512.368 g·mol−1 |
Heat of Formation |
118.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.63 ± 1.08 D |
Volume |
488.86 Å 3 |
Surface Area |
422.47 Å 2 |
HOMO Energy |
-8.40 ± 0.55 eV |
LUMO Energy |
-1.22 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]purin-9-yl]propyl-isopropyl-amine
- 8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9-(3-(isopropylamino)propyl)-9h-purin-6-amine
- 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(isopropylamino)propyl]purin-6-amine
- 8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-[3-(isopropylamino)propyl]-6-purinamine
- h71
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InChIKey |
SUPVGFZUWFMATN-UHFFFAOYSA-N |
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