KEGG   COMPOUND: C21111
Entry
C21111                      Compound                               

Name
Pyrithiamine;
1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium
Formula
C14H19N4O
Exact mass
259.1559
Mol weight
259.3269
Structure
Other DBs
PubChem: 312642080
ChEMBL: CHEMBL1229798
PDB-CCD: 218[PDBj]
LinkDB
KCF data

ATOM        19
            1   N5y N    18.7018  -15.5209 #+
            2   C8y C    19.9220  -14.8084
            3   C1b C    18.6784  -16.9107
            4   C8x C    17.4931  -14.8084
            5   C8y C    19.9220  -13.4070
            6   C1a C    21.1191  -15.4975
            7   C8y C    17.4580  -17.5822
            8   C8x C    17.4931  -13.4070
            9   C8x C    18.7018  -12.7063
            10  C1b C    21.1191  -12.7063
            11  C8y C    17.4347  -18.9777
            12  C8x C    16.2551  -16.8522
            13  C1b C    22.3220  -13.4012
            14  N5x N    16.1966  -19.6492
            15  N1a N    18.6258  -19.6901
            16  N5x N    14.9996  -17.4654
            17  C8y C    14.9996  -18.9193
            18  C1a C    13.7794  -19.5792
            19  O1a O    23.5321  -12.7031
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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