1-[4-(6-Amino-9H-Purin-9-Yl)Phenyl]-3-[1-(4-Methylphenyl)-3-(2-Methyl-2-Propanyl)-1H-Pyrazol-5-Yl]Urea

Molecule SVG Image

Properties Simple | Detailed

Formula C26H27N9O
IUPAC Name 1-[4-(6-aminopurin-9-ium-5-ylium-9-yl)phenyl]-3-[5-tert-butyl-2-(p-tolyl)pyrazol-2-ium-3-ylium-3-yl]urea
Molecular Mass 481.552 g·mol−1
Heat of Formation 427.8 ± 16.7 kJ·mol−1
Dipole Moment 6.81 ± 1.08 D
Volume 565.28 Å 3
Surface Area 503.27 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[4-(6-amino-9-purinyl)phenyl]-1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]urea
InChIKey INQBVHWEOAKYED-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N