(2R)-2-[[2-Amino-5-[[(1S)-1-phenylethyl]thio]thiazolo[4,5-d]pyrimidin-7-yl]am...
C19H25N5OS2
911715-90-7 Copyright (C) 2024 ACS
 27 29  0  0  1  0  0  0  0  0999 V2000
    4.0010    6.0812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.6213    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6673    8.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    8.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    7.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    9.9313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0467    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    6.0812    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696    5.3112    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6696    3.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    5.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    3.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903    2.7406    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    6.0812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    3.7712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3483    1.4947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    5.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    5.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    7.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6706    6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    8.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6706    7.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  6  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  6  0  0  0
 11 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <cas.rn>
911715-90-7

> <cas.index.name>
1-Pentanol, 2-[[2-amino-5-[[(1S)-1-phenylethyl]thio]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methyl-, (2R)-

> <molecular.formula>
C19H25N5OS2

> <molecular.weight>
403.57

> <boiling.point.predicted>
651.128±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.317±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
14.473±0.10    Most Acidic Temp: 25 °C

$$$$
