DAP000675
 Wcorina  07020613003D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 28 28  0     0  0  0  0  0  0999 V2000
   -1.0258   -0.6468    0.0088 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6938   -0.2225   -0.0358 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0003    3.2794    0.0102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0162    1.3457    0.0094 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3452    1.5580   -0.0124 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3567   -0.6868   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5678    0.2266   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090    2.0694    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4492   -1.5911    1.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4254   -1.5778   -1.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    2.0388    0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3010   -0.7455    2.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2531   -0.7187   -2.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    2.1620   -0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6534   -2.3352    1.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4163   -2.0937    1.2258 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3922   -2.0802   -1.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6304   -2.3223   -1.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6221    2.2051    1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    2.9976   -0.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0504    1.4295   -0.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0968   -0.0015    2.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3338   -0.2430    2.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3669   -1.3897    3.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2864   -0.2164   -2.4771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0481    0.0258   -2.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3022   -1.3535   -3.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 14  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
87762

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
DTP/NCI

> <PUBCHEM_EXT_DATASOURCE_REGID>
27156

> <PUBCHEM_SUBSTANCE_COMMENT>
DTP/NCI from molfile.  Release-June 2007.
Structure Evaluation:Consistent with Molecular Formula.
Deposition record created from database webdb on host dtpiv1.ncifcrf.gov on Feb 22, 2008

> <PUBCHEM_SUBSTANCE_SYNONYM>
1-Methylbarbital
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-methyl-
5,5-Diethyl-1-methylbarbituric acid
50-11-3
AN 23
Barbituric acid, 5,5-diethyl-1-methyl-
Endiemal
Endiemalum
Gemonil
Gemonit
Metabarbital
Metharbital
Metharbitone
Metharbutal
Methylbarbital
N-Methylbarbital
NSC27156
Sch 412
WLN: T6VMVNV FHJ D1 F2 F2

> <PUBCHEM_GENERIC_REGISTRY_NAME>
50-11-3

> <PUBCHEM_XREF_EXT_ID>
27156

> <PUBCHEM_EXT_DATASOURCE_URL>
http://dtp.nci.nih.gov/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://dtp.nci.nih.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=27156

> <PUBCHEM_CID_ASSOCIATIONS>
4099  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$