7-[(2R)-2-Hydroxy-3-{4-[3-(Phenylsulfanyl)Propyl]-1-Piperazinyl}Propyl]-1,3-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C23H32N6O3S
IUPAC Name 7-[(2r)-2-hydroxy-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione
Molecular Mass 472.604 g·mol−1
Heat of Formation -270.4 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 568.7 Å 3
Surface Area 482.84 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[(2r)-2-hydroxy-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione
  • 7-[(2r)-2-hydroxy-3-[4-[3-(phenylthio)propyl]-1-piperazinyl]propyl]-1,3-dimethylpurine-2,6-dione
  • 7-[(2r)-2-hydroxy-3-[4-[3-(phenylthio)propyl]piperazin-1-yl]propyl]-1,3-dimethyl-xanthine
InChIKey JTOUASWUIMAMAD-GOSISDBHSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N