KEGG   COMPOUND: C11567
Entry
C11567                      Compound                               
Name
2-Phenethylsulfanyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylamine
Formula
C18H19N3S2
Exact mass
341.102
Mol weight
341.4936
Structure
Other DBs
PubChem: 13732
ChEBI: 1263
NIKKAJI: J1.679.148B
LinkDB
KCF data

ATOM        23
            1   C1x C    21.3866  -19.1217
            2   C1x C    21.3866  -20.5222
            3   C1x C    22.6034  -21.2190
            4   C1x C    22.6034  -18.4179
            5   C8y C    23.8130  -19.1217
            6   C8y C    23.8073  -20.5256
            7   S2x S    25.1411  -20.9629
            8   C8y C    25.1505  -18.6885
            9   C8y C    25.9667  -19.8293
            10  N5x N    27.3601  -19.6955
            11  C8y C    27.9374  -18.4207
            12  N5x N    27.1212  -17.2801
            13  C8y C    25.7277  -17.4138
            14  N1a N    24.9183  -16.2796
            15  S2a S    29.3304  -18.4270
            16  C1b C    30.0692  -19.4801
            17  C1b C    31.4693  -19.4391
            18  C8y C    32.2011  -20.6318
            19  C8x C    31.5360  -21.8575
            20  C8x C    32.2683  -23.0430
            21  C8x C    33.6684  -23.0021
            22  C8x C    34.3364  -21.7686
            23  C8x C    33.5971  -20.6524
BOND        26
            1     8   9 2
            2     9  10 1
            3    10  11 2
            4    11  12 1
            5    12  13 2
            6    13   8 1
            7     5   6 2
            8    13  14 1
            9     6   7 1
            10   11  15 1
            11    7   9 1
            12   15  16 1
            13    8   5 1
            14   16  17 1
            15    3   6 1
            16   17  18 1
            17    5   4 1
            18    4   1 1
            19    1   2 1
            20    2   3 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   23  18 1

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