COMPOUND: C11567
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Entry
C11567 Compound
Name
2-Phenethylsulfanyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylamine
Formula
C18H19N3S2
Exact mass
341.102
Mol weight
341.4936
Structure
Mol file
KCF file
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Other DBs
PubChem:
13732
ChEBI:
1263
NIKKAJI:
J1.679.148B
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KCF data
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ATOM 23
1 C1x C 21.3866 -19.1217
2 C1x C 21.3866 -20.5222
3 C1x C 22.6034 -21.2190
4 C1x C 22.6034 -18.4179
5 C8y C 23.8130 -19.1217
6 C8y C 23.8073 -20.5256
7 S2x S 25.1411 -20.9629
8 C8y C 25.1505 -18.6885
9 C8y C 25.9667 -19.8293
10 N5x N 27.3601 -19.6955
11 C8y C 27.9374 -18.4207
12 N5x N 27.1212 -17.2801
13 C8y C 25.7277 -17.4138
14 N1a N 24.9183 -16.2796
15 S2a S 29.3304 -18.4270
16 C1b C 30.0692 -19.4801
17 C1b C 31.4693 -19.4391
18 C8y C 32.2011 -20.6318
19 C8x C 31.5360 -21.8575
20 C8x C 32.2683 -23.0430
21 C8x C 33.6684 -23.0021
22 C8x C 34.3364 -21.7686
23 C8x C 33.5971 -20.6524
BOND 26
1 8 9 2
2 9 10 1
3 10 11 2
4 11 12 1
5 12 13 2
6 13 8 1
7 5 6 2
8 13 14 1
9 6 7 1
10 11 15 1
11 7 9 1
12 15 16 1
13 8 5 1
14 16 17 1
15 3 6 1
16 17 18 1
17 5 4 1
18 4 1 1
19 1 2 1
20 2 3 1
21 18 19 2
22 19 20 1
23 20 21 2
24 21 22 1
25 22 23 2
26 23 18 1
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