KEGG   COMPOUND: C13709Help
Entry
C13709                      Compound                               

Name
CPX;
8-Cyclopentyl-1,3-dipropylxanthine
Formula
C16H24N4O2
Exact mass
304.1899
Mol weight
304.3874
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 102146-07-6
PubChem: 586298
ChEBI: 73282
ChEMBL: CHEMBL183
NIKKAJI: J126.311K
KCF data Show

ATOM        22
            1   C8y C    27.4509  -19.5101
            2   C8y C    27.4509  -18.1547
            3   N4y N    26.2737  -20.1939
            4   C8y C    26.2737  -17.4829
            5   C8y C    25.1154  -19.5101
            6   N4y N    25.1154  -18.1547
            7   O5x O    26.2737  -16.1398
            8   O5x O    23.9510  -20.1693
            9   C1b C    23.9554  -17.4863
            10  C1b C    23.9541  -16.1474
            11  C1a C    22.7940  -15.4791
            12  C1b C    26.2457  -21.5551
            13  C1b C    25.1344  -22.2316
            14  C1a C    25.1297  -23.5929
            15  N5x N    28.7400  -19.9289
            16  C8y C    29.5367  -18.8324
            17  N4x N    28.7400  -17.7358
            18  C1y C    30.9400  -18.8324
            19  C1x C    31.7618  -19.9635
            20  C1x C    33.0914  -19.5314
            21  C1x C    33.0914  -18.1333
            22  C1x C    31.7618  -17.7013
BOND        24
            1     3   5 1
            2     4   6 1
            3     4   7 2
            4     5   8 2
            5     5   6 1
            6     6   9 1
            7     1   2 2
            8     9  10 1
            9     1   3 1
            10   10  11 1
            11    3  12 1
            12    2   4 1
            13   12  13 1
            14   13  14 1
            15    1  15 1
            16   15  16 2
            17   16  17 1
            18    2  17 1
            19   16  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   18  22 1

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