Butanedioic acid, compd. with 7-cyclopentyl-N,N-dimethyl-2-[[5-(1-piperazinyl...
C23H30N8O.C4H6O4.xH2O
1374639-79-8 Copyright (C) 2024 ACS
 41 43  0  0  0  0  0  0  0  0999 V2000
    2.3100   12.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400   13.4661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400   10.7986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2209   10.5924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2198   11.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7551   10.8864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2198   12.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5534   10.5924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   12.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7551   13.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5534   13.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8872   11.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8872   12.9024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792    9.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1844    8.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8147    8.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8147    7.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5545   12.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8881   10.5924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8881   13.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2219   11.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2219   12.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5556   13.6724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5556   15.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8892   12.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8892   15.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2229   13.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2229   15.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7783    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1110    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1119    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7772    3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1110    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4457    3.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1119    5.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1114    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  6 14  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
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  9 13  2  0  0  0  0
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 14 15  2  0  0  0  0
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 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
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 35 37  1  0  0  0  0
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 36 39  1  0  0  0  0
 36 40  2  0  0  0  0
M  END
> <cas.rn>
1374639-79-8

> <cas.index.name>
Butanedioic acid, compd. with 7-cyclopentyl-N,N-dimethyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, hydrate (1:1:?)

> <molecular.formula>
C23H30N8O.C4H6O4.xH2O

$$$$
