KEGG   COMPOUND: C10927
Entry
C10927                      Compound                               

Name
Cybutryne;
Irgarol 1051
Formula
C11H19N5S
Exact mass
253.1361
Mol weight
253.3671
Structure
Other DBs
CAS: 28159-98-0
PubChem: 13110
ChEBI: 5962
ChEMBL: CHEMBL3185551
NIKKAJI: J135.024B
KCF data

ATOM        17
            1   C1y C    24.3843  -17.7627
            2   C1x C    23.1666  -17.0591
            3   C1x C    23.1747  -18.4674
            4   N5x N    26.8052  -19.1633
            5   C8y C    26.8052  -17.7627
            6   N5x N    28.0220  -17.0591
            7   C8y C    29.2316  -17.7627
            8   N5x N    29.2316  -19.1633
            9   C8y C    28.0220  -19.8601
            10  N1b N    25.5946  -17.0591
            11  N1b N    30.4296  -17.0591
            12  C1d C    31.6402  -17.7627
            13  C1a C    32.8507  -17.0591
            14  S2a S    28.0158  -21.2536
            15  C1a C    26.8052  -21.9503
            16  C1a C    31.6331  -19.1633
            17  C1a C    32.8507  -18.4666
BOND        18
            1     8   9 2
            2     9   4 1
            3     1   3 1
            4     5  10 1
            5    10   1 1
            6     3   2 1
            7     7  11 1
            8    11  12 1
            9     1   2 1
            10   12  13 1
            11    4   5 2
            12    9  14 1
            13    5   6 1
            14   14  15 1
            15    6   7 2
            16   12  16 1
            17    7   8 1
            18   12  17 1

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