KEGG   COMPOUND: C15397
Entry
C15397                      Compound                               
Name
6-(2-Chloroallylthio)purine
Formula
C8H7ClN4S
Exact mass
226.008
Mol weight
226.686
Structure
Other DBs
PubChem: 17396394
ChEBI: 79898
NIKKAJI: J2.794.339J
LinkDB
KCF data

ATOM        14
            1   N5x N    24.9900  -17.3600
            2   C8x C    24.9900  -18.6900
            3   N5x N    23.8000  -19.3200
            4   C8y C    22.6800  -18.6900
            5   C8y C    22.6800  -17.3600
            6   C8y C    23.8000  -16.7300
            7   S2a S    23.8000  -15.2600
            8   C1b C    25.0600  -14.5600
            9   C2c C    26.2500  -15.2600
            10  C2a C    27.3700  -14.6300
            11  X   Cl   26.2500  -16.6600
            12  N4x N    21.4151  -16.9490
            13  C8x C    20.6333  -18.0250
            14  N5x N    21.4151  -19.1010
BOND        15
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    9  11 1
            12    5  12 1
            13   12  13 1
            14   13  14 2
            15    4  14 1

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