3-{[6-(Cyclohexylmethoxy)-3H-Purin-2-Yl]Amino}Benzenesulfonamide

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Properties Simple | Detailed

Formula C18H22N6O3S
IUPAC Name 3-[[6-(cyclohexylmethoxy)purin-9-ium-7-id-2-yl]amino]benzenesulfonamide
Molecular Mass 402.471 g·mol−1
Heat of Formation -186.2 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 452.2 Å 3
Surface Area 398.47 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(6-cyclohexylmethoxy-9h-purin-2-ylamino)-benzenesulfonamide
  • n76
  • o6-cyclohexylmethylguanine deriv. 33
InChIKey BKDUVKJYBJDZQW-UHFFFAOYSA-N
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