1-Methyl-7,8,9,10-Tetrahydro-6H-[1,3]Thiazocino[2,3-F]Purine-2,4(1H,3H)-Dione

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Formula C11H14N4O2S
IUPAC Name 1-methyl-7,8,9,10-tetrahydro-6h-purino[8,7-b][1,3]thiazocine-2,4-dione
Molecular Mass 266.319 g·mol−1
Heat of Formation 1213.3 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 274.53 Å 3
Surface Area 253.98 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -2.39 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-7,8,9,10-tetrahydro-6h-purino[8,7-b][1,3]thiazocine-2,4-dione
  • 1-methyl-7,8,9,10-tetrahydro-6h-purino[8,7-b][1,3]thiazocine-2,4-quinone
  • oprea1_483450
  • stock1s-27835
  • zinc00496244
InChIKey IGKRUASVZKVVLL-UHFFFAOYSA-N
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