8-((6-Iodobenzo[D][1,3]Dioxol-5-Yl)Thio)-9-(3-(Isopropylamino)Propyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

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
Synonyms
  • 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
InChIKey SUPVGFZUWFMATN-UHFFFAOYSA-N
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