2-Amino-8-{[2-(4-Methylphenyl)-2-Oxoethyl]Sulfanyl}-3,7-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C14H13N5O2S
IUPAC Name 2-amino-8-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-3,7-dihydropurin-6-one
Molecular Mass 315.350 g·mol−1
Heat of Formation 2296.0 ± 16.7 kJ·mol−1
Dipole Moment 11.90 ± 1.08 D
Volume 321.03 Å 3
Surface Area 308.32 Å 2
Point Group Symmetry C1
Synonyms
  • 2-amino-8-[2-(4-methylphenyl)-2-oxo-ethyl]sulfanyl-3,7-dihydropurin-6-one
  • 2-amino-8-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-3,7-dihydropurin-6-one
  • 2-amino-8-[[2-(4-methylphenyl)-2-oxoethyl]thio]-3,7-dihydropurin-6-one
  • 2-amino-8-[[2-keto-2-(4-methylphenyl)ethyl]thio]-3,7-dihydropurin-6-one
  • oprea1_847137
InChIKey HIGGTDYQNPXEFT-UHFFFAOYSA-N
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