4-{[6-(Cyclohexylmethoxy)-1H-Purin-2-Yl]Amino}Benzenesulfonamide

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Properties Simple | Detailed

Formula C18H23N6O3S
IUPAC Name 4-[[6-(cyclohexylmethoxy)-7h-purine-1,3,9-triium-5-id-2-yl]amino]benzenesulfonamide
Molecular Mass 403.479 g·mol−1
Heat of Formation -176.3 ± 16.7 kJ·mol−1
Dipole Moment 8.30 ± 1.08 D
Volume 458.15 Å 3
Surface Area 401.04 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[6-(cyclohexylmethoxy)-7h-purin-2-yl]amino]benzenesulfonamide
  • 4sp
  • 6-cyclohexylmethoxy-2-(4′-sulfamoylanilino)purine
  • cdk1/2 inhibitor ii, nu6102
  • k00275
  • nu6102
  • o6-cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine
InChIKey OWXORKPNCHJYOF-UHFFFAOYSA-N
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