Maribavir
C15H19Cl2N3O4
176161-24-3 Copyright (C) 2025 ACS
 24 26  0  0  1  0  0  0  0  0999 V2000
    4.3630    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3630    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6967    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2078    7.9436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4441    7.5992    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9052    6.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1472    9.3064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9842    4.9318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8576    4.6116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3641    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6967    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1341    3.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1341    6.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1035    2.4536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6741    3.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6741    6.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4441    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7132    5.6420    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2068    5.3219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8742    7.1736    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4368    6.6555    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4674    7.8001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
 22  5  1  6  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
 23  7  1  1  0  0  0
 24  9  1  6  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 20 11  1  1  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <cas.rn>
176161-24-3

> <ca.index.name>
1H-Benzimidazol-2-amine, 5,6-dichloro-N-(1-methylethyl)-1-β-L-ribofuranosyl-

> <molecular.formula>
C15H19Cl2N3O4

> <smiles.canonical>
ClC1=CC=2N=C(NC(C)C)N(C2C=C1Cl)C3OC(CO)C(O)C3O

> <smiles.isomeric>
N(C(C)C)C=1N(C=2C(N1)=CC(Cl)=C(Cl)C2)[C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O

> <molecular.weight>
376.24

> <boiling.point.predicted>
611.028±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.680±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.201±0.70    Most Acidic Temp: 25 °C

$$$$
