1,2,3,9-Tetrahydro-3-[[(2R)-tetrahydro-2-furanyl]methyl]-2-thioxo-6H-purin-6-one
C10H12N4O2S
618913-30-7 Copyright (C) 2025 ACS
 17 19  0  0  1  0  0  0  0  0999 V2000
    5.3348    1.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    4.7473    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    1.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    2.4373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3472    0.1609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    3.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    3.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1893    1.4068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8156    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.7473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    2.4373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0755    1.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8296    3.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1059    2.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3359    4.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
 13  1  1  6  0  0  0
  2  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <cas.rn>
618913-30-7

> <cas.index.name>
6H-Purin-6-one, 1,2,3,9-tetrahydro-3-[[(2R)-tetrahydro-2-furanyl]methyl]-2-thioxo-

> <molecular.formula>
C10H12N4O2S

> <molecular.weight>
252.29

> <density.predicted>
1.548±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.531±0.20    Most Acidic Temp: 25 °C

$$$$
