59507699 -OEChem-04252401182D 64 67 0 0 0 0 0 0 0999 V2000 8.6466 -0.0250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.1183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.1183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8376 1.3762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.1183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.6183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.1183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.6183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.6183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6238 3.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2170 2.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6183 3.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0360 4.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2225 2.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0250 4.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4427 5.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8158 1.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0072 3.4509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1738 1.9837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8186 2.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5750 3.0018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2199 3.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5220 4.6715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6053 3.8788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2658 3.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6209 2.6477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5914 4.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2772 5.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4586 4.7860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0091 4.9861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6949 5.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8763 5.4905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 -4.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 -4.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -2.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -2.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -5.0933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -5.0933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -3.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 -2.5357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9324 0.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -4.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.2383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 3 24 1 0 0 0 0 4 19 1 0 0 0 0 4 26 2 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 5 58 1 0 0 0 0 6 24 1 0 0 0 0 6 27 2 0 0 0 0 7 24 2 0 0 0 0 7 28 1 0 0 0 0 8 31 2 0 0 0 0 8 33 1 0 0 0 0 9 32 1 0 0 0 0 9 33 2 0 0 0 0 10 31 1 0 0 0 0 10 61 1 0 0 0 0 10 62 1 0 0 0 0 11 33 1 0 0 0 0 11 63 1 0 0 0 0 11 64 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 13 16 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 19 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 25 2 0 0 0 0 20 22 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 23 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 25 57 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 32 60 1 0 0 0 0 M END > 59507699 > 1 > 580 > 11 > 3 > 9 > AAADceB74ABAAAAAAAAAAAAAAAAAAWAAAAAsWLAAAAAAAAAB+AAAHgQQAAAADQjl3ga/sZfIFAikAzZnZACC8KlxCrkB2DQ4ZJiKKKLg2cGHJAhokALYyCcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 5-[6-[[4-(3-ethylpentyl)thiazol-2-yl]amino]-2-morpholino-pyrimidin-4-yl]pyrimidine-2,4-diamine > 5-[6-[[4-(3-ethylpentyl)-2-thiazolyl]amino]-2-(4-morpholinyl)-4-pyrimidinyl]pyrimidine-2,4-diamine > 5-[6-[[4-(3-ethylpentyl)-1,3-thiazol-2-yl]amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine > 5-[6-[[4-(3-ethylpentyl)-1,3-thiazol-2-yl]amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine > 5-[6-[[4-(3-ethylpentyl)-1,3-thiazol-2-yl]amino]-2-morpholin-4-yl-pyrimidin-4-yl]pyrimidine-2,4-diamine > [6-(2,4-diaminopyrimidin-5-yl)-2-morpholino-pyrimidin-4-yl]-[4-(3-ethylpentyl)thiazol-2-yl]amine > InChI=1S/C22H31N9OS/c1-3-14(4-2)5-6-15-13-33-22(26-15)29-18-11-17(16-12-25-20(24)30-19(16)23)27-21(28-18)31-7-9-32-10-8-31/h11-14H,3-10H2,1-2H3,(H4,23,24,25,30)(H,26,27,28,29) > XVEQATSRMDUXTR-UHFFFAOYSA-N > 3.8 > 469.23722782 > C22H31N9OS > 469.6 > CCC(CC)CCC1=CSC(=N1)NC2=NC(=NC(=C2)C3=CN=C(N=C3N)N)N4CCOCC4 > CCC(CC)CCC1=CSC(=N1)NC2=NC(=NC(=C2)C3=CN=C(N=C3N)N)N4CCOCC4 > 169 > 469.23722782 > 0 > 33 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 25 8 1 26 8 19 25 8 27 29 8 28 29 8 30 31 8 30 32 8 4 19 8 4 26 8 6 24 8 6 27 8 7 24 8 7 28 8 8 31 8 8 33 8 9 32 8 9 33 8 $$$$