25254071 -OEChem-10101305022D 65 69 0 1 0 0 0 0 0999 V2000 8.6793 0.1997 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.3949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7629 3.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7629 3.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7629 0.2610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7629 1.9930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.3949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.6051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.1051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7629 0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2629 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2629 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7629 1.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2629 -0.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2629 -0.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6793 -1.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2629 2.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2629 2.8590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 2.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 -2.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7629 1.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6553 -0.3496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3455 0.0489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7880 1.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7880 0.7285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8706 2.6036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1803 2.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7379 0.7285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7379 1.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1553 -1.2156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8455 -0.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 1.3123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 2.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 2.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 1.3123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8829 2.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 3.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 2.7873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 2.7873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 3.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4006 -2.5529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1826 -2.9496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5793 -2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2260 1.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0729 1.4561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2999 2.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3829 3.7251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.9151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.7251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 20 2 0 0 0 0 26 4 1 1 0 0 0 4 61 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 22 1 0 0 0 0 8 30 2 0 0 0 0 9 23 2 0 0 0 0 9 30 1 0 0 0 0 10 33 2 0 0 0 0 10 35 1 0 0 0 0 11 34 1 0 0 0 0 11 35 2 0 0 0 0 12 35 1 0 0 0 0 12 64 1 0 0 0 0 12 65 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 19 22 1 0 0 0 0 19 29 1 0 0 0 0 20 26 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 27 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 28 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 31 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 32 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 M END > 25254071 > 1 > 715 > 11 > 2 > 5 > AAADceB78ABAAAAAAAAAAAAAAAAAASAAAAAsWLFgAAAAAFgB/gAAHgQQCAAADBzh3wYv8bdIFgisAxd3dAKDoKkxCLAB2DVoRJiKeKLg2dGXJAxohgL4yCcQAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholino-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxy-propan-1-one > (2S)-1-[4-[[2-(2-amino-5-pyrimidinyl)-7-methyl-4-(4-morpholinyl)-6-thieno[3,2-d]pyrimidinyl]methyl]-1-piperazinyl]-2-hydroxy-1-propanone > (2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one > (2S)-1-[4-[[2-(2-azanylpyrimidin-5-yl)-7-methyl-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxidanyl-propan-1-one > (2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholino-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazino]-2-hydroxy-propan-1-one > InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1 > YOVVNQKCSKSHKT-HNNXBMFYSA-N > 0.2 > 498.216158 > C23H30N8O3S > 498.6011 > CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)C(C)O > CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O > 162 > 498.216158 > 0 > 35 > 1 > 0 > 0 > 0 > 0 > 1 > 5 > 1 5 255 > 1 18 8 1 21 8 10 33 8 10 35 8 11 34 8 11 35 8 18 19 8 19 22 8 21 22 8 21 23 8 32 33 8 32 34 8 26 4 5 8 22 8 8 30 8 9 23 8 9 30 8 $$$$