Zaprinast
C13H13N5O2
37762-06-4 Copyright (C) 2025 ACS
 20 22  0  0  0  0  0  0  0  0999 V2000
    7.0573    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5973    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3673    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9073    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7473    8.0022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7473    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2873    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9772    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0573    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7473    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2873    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9772    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372    4.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7473    5.3348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6672    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9772    6.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372    6.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1609    5.6549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4068    7.8130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <cas.rn>
37762-06-4

> <ca.index.name>
7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 3,6-dihydro-5-(2-propoxyphenyl)-

> <molecular.formula>
C13H13N5O2

> <smiles.canonical>
O=C1N=C(NC=2N=NNC12)C=3C=CC=CC3OCCC

> <molecular.weight>
271.28

> <melting.point.experimental>
241 °C (decomp)

> <density.predicted>
1.484±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.017±0.20    Most Acidic Temp: 25 °C

$$$$
