KEGG   COMPOUND: C15348
Entry
C15348                      Compound                               
Name
6-(Allylthio)purine
Formula
C8H8N4S
Exact mass
192.047
Mol weight
192.2409
Structure
Other DBs
PubChem: 17396345
ChEBI: 79850
NIKKAJI: J2.793.903A
LinkDB
KCF data

ATOM        13
            1   N5x N    24.9200  -17.3600
            2   C8x C    24.9200  -18.6900
            3   N5x N    23.8000  -19.3200
            4   C8y C    22.6100  -18.6900
            5   C8y C    22.6100  -17.3600
            6   C8y C    23.8000  -16.7300
            7   S2a S    23.8000  -15.2600
            8   C1b C    24.9900  -14.5600
            9   C2b C    26.1800  -15.2600
            10  C2a C    27.3700  -14.5600
            11  N4x N    21.3451  -16.9490
            12  C8x C    20.5633  -18.0250
            13  N5x N    21.3451  -19.1010
BOND        14
            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    5  11 1
            12   11  12 1
            13   12  13 2
            14    4  13 1

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