KEGG   COMPOUND: C16250
Entry
C16250                      Compound                               

Name
MTIC
Formula
C5H8N6O
Exact mass
168.076
Mol weight
168.1566
Structure
Pathway
map07040  Antineoplastics - alkylating agents
Other DBs
CAS: 3413-72-7
PubChem: 47205558
ChEBI: 72568
ChEMBL: CHEMBL1442
NIKKAJI: J54.029C
LinkDB
KCF data

ATOM        12
            1   C8y C    27.2279  -16.3780
            2   C8y C    27.2279  -17.7778
            3   N5x N    28.5593  -18.2104
            4   C8x C    29.3821  -17.0779
            5   N4x N    28.5593  -15.9454
            6   N2b N    26.0156  -15.6781
            7   N2b N    24.8033  -16.3780
            8   N1a N    24.8033  -17.7778
            9   C5a C    26.0156  -18.4777
            10  O5a O    26.0156  -19.8774
            11  N1b N    23.5723  -15.6671
            12  C1a C    22.3672  -16.3627
BOND        12
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 2
            8     8   9 1
            9     2   9 1
            10    9  10 2
            11    7  11 1
            12   11  12 1

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