42628507 -OEChem-04262407562D 68 71 0 0 0 0 0 0 0999 V2000 2.0000 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -1.5547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.0547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 -2.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 -2.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 -3.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -5.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -6.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -6.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -5.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9803 -2.3774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4377 -3.3182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1722 -2.8393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6934 -2.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4577 -2.8355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5051 -3.7110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3806 -3.6636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 2 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 11 1 0 0 0 0 3 18 1 0 0 0 0 3 45 1 0 0 0 0 4 18 1 0 0 0 0 4 19 2 0 0 0 0 5 18 2 0 0 0 0 5 21 1 0 0 0 0 6 19 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 20 1 0 0 0 0 7 23 2 0 0 0 0 8 21 1 0 0 0 0 8 26 1 0 0 0 0 8 54 1 0 0 0 0 9 29 1 0 0 0 0 9 32 1 0 0 0 0 9 65 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 35 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 61 1 0 0 0 0 28 30 2 0 0 0 0 28 62 1 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 M END > 42628507 > 1 > 680 > 7 > 3 > 8 > AAADcfB74AAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB/AAAHgAQAAAACCjBlwQ38L/MEACoASdzdACCgC0xEqAJ2KAodNiIaGLA2dGUJAholALIyKcQAAAAAAAAAAQAAAAAAQAACAAAAAAAAAAAAA== > N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-isopropyl-purin-6-yl]amino]phenyl]prop-2-enamide > N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-propan-2-yl-6-purinyl]amino]phenyl]-2-propenamide > N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]prop-2-enamide > N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]prop-2-enamide > N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-propan-2-yl-purin-6-yl]amino]phenyl]prop-2-enamide > N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-isopropyl-purin-6-yl]amino]phenyl]acrylamide > InChI=1S/C25H34N8O/c1-6-21(34)27-18-8-7-9-19(14-18)28-23-22-24(33(15-26-22)16(2)3)31-25(30-23)29-17-10-12-20(13-11-17)32(4)5/h6-9,14-17,20H,1,10-13H2,2-5H3,(H,27,34)(H2,28,29,30,31) > DGEBYERMQBTMHV-UHFFFAOYSA-N > 4.1 > 462.28555774 > C25H34N8O > 462.6 > CC(C)N1C=NC2=C(N=C(N=C21)NC3CCC(CC3)N(C)C)NC4=CC(=CC=C4)NC(=O)C=C > CC(C)N1C=NC2=C(N=C(N=C21)NC3CCC(CC3)N(C)C)NC4=CC(=CC=C4)NC(=O)C=C > 100 > 462.28555774 > 0 > 34 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 19 20 8 20 21 8 26 27 8 26 28 8 27 29 8 28 30 8 29 31 8 30 31 8 4 18 8 4 19 8 5 18 8 5 21 8 6 19 8 6 23 8 7 20 8 7 23 8 $$$$