9-Cyclopentyl-6-[2-(3-Imidazol-1-Yl-Propoxy)-Phenylamino]-9H-Purine-2-Carbonitrile

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Properties Simple | Detailed

Formula C23H24N8O
IUPAC Name 9-cyclopentyl-6-[2-[3-(2h-imidazol-1-ium-2-ylium-1-yl)propoxy]anilino]purin-9-ium-2-carbonitrile
Molecular Mass 428.490 g·mol−1
Heat of Formation 452.3 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 505.43 Å 3
Surface Area 401.16 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 9-cyclopentyl-6-[[2-[3-(1-imidazolyl)propoxy]phenyl]amino]-2-purinecarbonitrile
InChIKey JJNKDTWKWYLERH-UHFFFAOYSA-N
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