KSH2210-00868726
49 51 0 0 0 0 0 0 0 0999 V2000
-0.2645 -1.6225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2769 -0.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0412 -0.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1479 0.3522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1601 -2.0850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5768 -2.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8639 -1.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5473 -0.8478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5768 0.6335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8639 -0.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3159 -2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2908 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5768 -3.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5599 -3.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1764 -2.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0407 1.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1827 0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7968 -2.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2908 3.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5404 1.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4885 -3.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7633 -2.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0819 -3.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0407 4.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2779 3.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5468 4.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5819 1.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7968 0.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2473 1.5080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8203 -3.8285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8825 -3.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5654 0.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7043 0.9236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9812 1.1922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9134 -1.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3967 -2.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8886 -2.7528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6909 3.0504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8439 1.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1143 -3.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8854 -3.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1354 -1.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3644 -1.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8887 -3.6089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6078 -3.3298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4578 -2.5732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7412 4.8589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8779 3.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8586 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
3 5 2 0 0 0 0
4 2 2 0 0 0 0
5 1 1 0 0 0 0
6 1 1 0 0 0 0
7 6 1 0 0 0 0
8 3 1 0 0 0 0
9 2 1 0 0 0 0
10 7 2 0 0 0 0
11 8 1 0 0 0 0
12 8 1 0 0 0 0
13 6 2 0 0 0 0
14 11 2 0 0 0 0
15 7 1 0 0 0 0
16 12 1 0 0 0 0
17 10 1 0 0 0 0
18 11 1 0 0 0 0
19 16 1 0 0 0 0
20 16 2 0 0 0 0
21 15 1 0 0 0 0
22 21 1 0 0 0 0
23 22 1 0 0 0 0
24 19 2 0 0 0 0
25 20 1 0 0 0 0
26 25 2 0 0 0 0
3 4 1 0 0 0 0
10 9 1 0 0 0 0
26 24 1 0 0 0 0
9 27 1 0 0 0 0
28 12 1 0 0 0 0
29 12 1 0 0 0 0
30 15 1 0 0 0 0
31 15 1 0 0 0 0
17 32 1 0 0 0 0
17 33 1 0 0 0 0
17 34 1 0 0 0 0
18 35 1 0 0 0 0
18 36 1 0 0 0 0
18 37 1 0 0 0 0
19 38 1 0 0 0 0
20 39 1 0 0 0 0
21 40 1 0 0 0 0
21 41 1 0 0 0 0
22 42 1 0 0 0 0
22 43 1 0 0 0 0
23 44 1 0 0 0 0
23 45 1 0 0 0 0
23 46 1 0 0 0 0
24 47 1 0 0 0 0
25 48 1 0 0 0 0
26 49 1 0 0 0 0
M END
>
KSH2210-00868726-01
>
Kishida2210
>
D524-2828
>
-
>
ChemDiv
>
KS122-1023438
>
C19H23N5O2
>
353.426
>
0
>
1
>
4
>
0
>
80.1200
>
-9.2594
>
-0.5275
>
-3.595
>
1.954
>
-5.477
>
CCCCC2=C(Nc3nc(N(Cc1ccccc1)C(=O)C)nn3C2=O)C
>
HTS2204-06056511
$$$$