KEGG   COMPOUND: C15279
Entry
C15279                      Compound                               
Name
2-Amino-6-(benzylthio)purine;
6-Benzylthioguanine;
Benzythioguanine
Formula
C12H11N5S
Exact mass
257.0735
Mol weight
257.3142
Structure
Other DBs
CAS: 1874-58-4
PubChem: 17396276
ChEBI: 79781
NIKKAJI: J199.689D
LinkDB
KCF data

ATOM        18
            1   N5x N    25.5500  -19.3900
            2   C8y C    25.5500  -20.7900
            3   N5x N    24.3600  -21.4900
            4   C8y C    23.1700  -20.7900
            5   C8y C    23.1700  -19.3900
            6   C8y C    24.3600  -18.6900
            7   N1a N    26.8100  -21.4900
            8   S2a S    24.3600  -17.2900
            9   N4x N    21.8400  -21.2100
            10  C8x C    21.0000  -20.0900
            11  N5x N    21.8400  -18.9000
            12  C1b C    25.5724  -16.5900
            13  C8y C    26.7679  -17.2804
            14  C8x C    26.7680  -18.6897
            15  C8x C    27.9804  -19.3897
            16  C8x C    29.1928  -18.6897
            17  C8x C    29.1928  -17.2803
            18  C8x C    27.9804  -16.5804
BOND        20
            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     2   7 1
            8     6   8 1
            9     4   9 1
            10    9  10 1
            11   10  11 2
            12    5  11 1
            13    8  12 1
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1

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