KEGG   DRUG: Thioinosine
Entry
D01678                      Drug                                   

Name
Thioinosine (JAN);
6-Mercaptopurine riboside (JAN)
Formula
C10H12N4O4S
Exact mass
284.0579
Mol weight
284.2917
Structure
Simcomp
Class
Antineoplastic
 DG01958  Nucleic acid derivative, antineoplastic
 DG02018  Antimetabolite
  DG01958  Nucleic acid derivative, antineoplastic
Efficacy
Antineoplastic, Antimetabolite
Interaction
Structure map
map07041  Antineoplastics - antimetabolic agents
Other DBs
CAS: 574-25-4
PubChem: 7848741
ChEBI: 32217
ChEMBL: CHEMBL448290
LigandBox: D01678
NIKKAJI: J33.135J
LinkDB
KCF data

ATOM        19
            1   C8y C    29.1421  -17.2715
            2   N5x N    29.5056  -18.6328
            3   C1y C    22.4494  -18.9749
            4   C1y C    22.0787  -17.6064
            5   C1b C    20.7082  -17.2431
            6   O1a O    19.7085  -18.2484
            7   O1a O    21.4496  -19.9801
            8   C1y C    23.8639  -18.9759
            9   C1y C    24.3032  -17.5633
            10  O2x O    23.1583  -16.8020
            11  C8y C    26.7900  -17.9058
            12  N5x N    27.1535  -19.2671
            13  C8x C    28.5141  -19.6330
            14  C8y C    27.7871  -16.9104
            15  C8x C    25.9840  -15.7121
            16  N4y N    25.6159  -17.1371
            17  N5x N    27.3863  -15.7135
            18  O1a O    24.5591  -20.1937
            19  S1a S    30.1397  -16.2734
BOND        21
            1     3   4 1
            2    11  12 1
            3    12  13 2
            4    13   2 1
            5     1  14 1
            6    14  11 2
            7     4   5 1 #Up
            8     5   6 1
            9    15  16 1
            10   16  11 1
            11   14  17 1
            12   17  15 2
            13    9  16 1 #Up
            14    3   7 1 #Down
            15    8  18 1 #Down
            16    1   2 2
            17    8   9 1
            18    9  10 1
            19   10   4 1
            20    3   8 1
            21    1  19 1

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