1-[4-(4-Amino-7-Cyclopentyl-7H-Pyrrolo[2,3-D]Pyrimidin-5-Yl)Phenyl]-3-Phenylurea

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Formula C24H24N6O
IUPAC Name 1-[4-(4-amino-7-cyclopentyl-6h-pyrrolo[2,3-d]pyrimidin-7-ium-6-ylium-5-yl)phenyl]-3-phenyl-urea
Molecular Mass 412.487 g·mol−1
Heat of Formation 193.1 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 487.71 Å 3
Surface Area 430.76 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy 2.77 ± eV
Point Group Symmetry C1
InChIKey WFPSCBQARGWGBI-UHFFFAOYSA-N
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