N-[2-(Dimethylamino)Ethyl]-4-(2,6-Dioxo-1,3-Dipropyl-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)-N-Methylbenzenesulfonamide

Molecule SVG Image

Properties Simple | Detailed

Formula C22H32N6O4S
IUPAC Name n-(2-dimethylaminoethyl)-4-(2,6-dioxo-1,3-dipropyl-7h-purin-8-yl)-n-methylbenzenesulfonamide
Molecular Mass 476.592 g·mol−1
Heat of Formation -503.6 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 572.42 Å 3
Surface Area 493.64 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2,6-diketo-1,3-dipropyl-7h-purin-8-yl)-n-(2-dimethylaminoethyl)-n-methyl-benzenesulfonamide
  • benzenesulfonamide, n-(2-(dimethylamino)ethyl)-n-methyl-4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1h-purin-8-yl)-
  • n-(2-(dimethylamino)ethyl)-n-methyl-4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1h-purin-8-yl)benzenesulfonamide
  • n-(2-dimethylaminoethyl)-4-(2,6-dioxo-1,3-dipropyl-7h-purin-8-yl)-n-methyl-benzenesulfonamide
  • pd 115199
CAS Number(s)
  • 107478-35-3
InChIKey RWNRBPFXDDCJTH-UHFFFAOYSA-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