KEGG   COMPOUND: C14614
Entry
C14614                      Compound                               
Name
6-(Pentylthio)purine;
6-Amylmercaptopurine
Formula
C10H14N4S
Exact mass
222.0939
Mol weight
222.31
Structure
Other DBs
CAS: 5443-89-0
PubChem: 17395614
ChEBI: 34465
NIKKAJI: J210.482B
LinkDB
KCF data

ATOM        15
            1   C8y C    25.0600  -18.7600
            2   C8y C    23.8000  -19.4600
            3   S2a S    25.0600  -17.3600
            4   N5x N    26.2500  -19.4600
            5   C8y C    23.8000  -20.8600
            6   N4x N    22.5400  -19.0400
            7   C8x C    26.2500  -20.8600
            8   N5x N    22.4700  -21.2800
            9   N5x N    25.0600  -21.5600
            10  C8x C    21.7000  -20.1600
            11  C1b C    26.2724  -16.6600
            12  C1b C    27.4849  -17.3600
            13  C1b C    28.6973  -16.6600
            14  C1b C    29.9097  -17.3600
            15  C1a C    31.1222  -16.6600
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 1
            9     6  10 1
            10    7   9 2
            11    8  10 2
            12    3  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1

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