KEGG   COMPOUND: C21112
Entry
C21112                      Compound                               
Name
Oxypyrithiamine;
1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium
Formula
C14H18N3O2
Exact mass
260.1399
Mol weight
260.31
Structure
Other DBs
PubChem: 312642081
LinkDB
KCF data

ATOM        19
            1   N5y N    18.6789  -15.5203 #+
            2   C8y C    19.8997  -14.8135
            3   C1b C    18.6556  -16.9105
            4   C8x C    17.4758  -14.8135
            5   C8y C    19.8997  -13.4059
            6   C1a C    21.0971  -15.5027
            7   C8y C    17.4407  -17.5821
            8   C8x C    17.4758  -13.4059
            9   C8x C    18.6789  -12.7167
            10  C1b C    21.0971  -12.7050
            11  C8y C    17.4114  -18.9840
            12  C8x C    16.2373  -16.8521
            13  C1b C    22.3062  -13.4000
            14  N5x N    16.1731  -19.6498
            15  O1a O    18.6088  -19.6966
            16  N5x N    14.9815  -17.4712
            17  C8y C    14.9757  -18.9198
            18  C1a C    13.7550  -19.5856
            19  O1a O    23.5151  -12.6989
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    7  11 2
            11    7  12 1
            12   10  13 1
            13   11  14 1
            14   11  15 1
            15   12  16 2
            16   14  17 2
            17   17  18 1
            18    8   9 2
            19   16  17 1
            20   13  19 1

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