1-[4-(4-Amino-7-Cyclopentyl-Pyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Id-5-Yl)Phenyl]-3-Phenyl-Urea

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Formula C24H25N6O
IUPAC Name 1-[4-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-5-yl)phenyl]-3-phenyl-urea
Molecular Mass 413.495 g·mol−1
Heat of Formation 193.1 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 487.39 Å 3
Surface Area 430.88 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
InChIKey YGMHAPPMYRVMRZ-UHFFFAOYSA-O
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