KEGG   COMPOUND: C07391Help
Entry
C07391                      Compound                               

Name
Pyrimethamine
Formula
C12H13ClN4
Exact mass
248.0829
Mol weight
248.7114
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C07391  Pyrimethamine
BRITE hierarchy
Other DBs
CAS: 
58-14-0
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        17
            1   C8y C    26.0400  -18.0659
            2   C8y C    24.8327  -18.7949
            3   C8y C    27.2938  -18.7892
            4   C8y C    26.0691  -16.6428
            5   C8x C    24.8794  -20.2063
            6   C8x C    23.5787  -18.0776
            7   N5x N    28.5420  -18.0717
            8   C1b C    27.2938  -20.2356
            9   N5x N    27.2938  -15.8846
            10  N1a N    25.0776  -16.0713
            11  C8x C    23.5728  -20.9762
            12  C8x C    22.3539  -18.7892
            13  C8y C    28.5537  -16.6021
            14  C8y C    22.3248  -20.2530
            15  N1a N    29.4868  -15.9780
            16  X   Cl   21.1933  -20.9470
            17  C1a C    28.5090  -20.9360
BOND        18
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 2
            13   11  14 2
            14   13  15 1
            15   14  16 1
            16    9  13 1
            17   12  14 1
            18    8  17 1

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