KEGG   COMPOUND: C14623
Entry
C14623                      Compound                               
Name
6-(Ethylthio)purine;
6-Ethylmercaptopurine
Formula
C7H8N4S
Exact mass
180.047
Mol weight
180.2302
Structure
Other DBs
CAS: 5417-84-5
PubChem: 17395623
ChEBI: 34469
NIKKAJI: J381.490D
LinkDB
KCF data

ATOM        12
            1   C8y C    24.9900  -17.2900
            2   C8y C    23.7300  -17.9900
            3   S2a S    24.9900  -15.8900
            4   N5x N    26.1800  -17.9900
            5   C8y C    23.7300  -19.3900
            6   N4x N    22.4000  -17.5700
            7   C8x C    26.1800  -19.3900
            8   N5x N    22.3300  -19.8100
            9   N5x N    24.9900  -20.0900
            10  C8x C    21.5600  -18.6900
            11  C1b C    26.2024  -15.1900
            12  C1a C    27.3979  -15.8804
BOND        13
            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

» Japanese version

DBGET integrated database retrieval system