KEGG   COMPOUND: C07846Help
Entry
C07846                      Compound                               

Name
Thiamylal;
5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid
Formula
C12H18N2O2S
Exact mass
254.1089
Mol weight
254.3485
Structure
Mol fileKCF fileDB search
Remark
Same as: D06106
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D06106  Thiamylal
BRITE hierarchy
Other DBs
CAS: 77-27-0
PubChem: 10048
ChEBI: 9536
ChEMBL: CHEMBL440
NIKKAJI: J38.391K
LinkDB All DBs
KCF data Show

ATOM        17
            1   C1z C    24.6725  -18.5834
            2   C5x C    24.6725  -19.9889
            3   C5x C    23.4653  -17.8894
            4   C1c C    26.0662  -18.5834
            5   C1b C    24.6666  -17.1896
            6   N1x N    23.4653  -20.6944
            7   O5x O    25.8737  -20.6944
            8   N1x N    22.2465  -18.5834
            9   O5x O    23.4477  -16.4840
            10  C1b C    26.7544  -17.3763
            11  C2b C    25.8737  -16.4957
            12  C2y C    22.2465  -19.9889
            13  C1b C    28.1483  -17.3763
            14  C2a C    25.8737  -15.0960
            15  S0  S    21.0276  -20.6887
            16  C1a C    28.8423  -16.1631
            17  C1a C    26.7805  -19.8128
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12   10  13 1
            13   11  14 2
            14   12  15 2
            15   13  16 1
            16    8  12 1
            17    4  17 1

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