67818472 -OEChem-03292411182D 80 84 0 1 0 0 0 0 0999 V2000 13.0817 -0.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7727 -2.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8418 -2.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -0.2556 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.8418 -0.0339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1953 -1.2547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 2.2812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7764 -0.5475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.6717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9544 1.1754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -1.1216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0817 -1.9307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0328 -1.6216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0328 -0.6216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4939 -1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7869 -0.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8409 0.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3733 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7856 1.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3680 0.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1900 -1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 3.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2125 -0.5692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5201 -2.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5852 -1.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9358 -0.0093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9113 -1.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6016 -1.7322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8739 0.6104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4113 -0.4677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1016 -0.8662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0765 0.8225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3863 1.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1876 -3.3425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7770 -2.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3387 1.3238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5309 1.7864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6839 2.0134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4570 1.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -0.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1139 0.6104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 1.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9113 0.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6016 -0.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9751 1.8602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5765 1.6885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8863 2.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 2.8705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4431 -1.9235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.5134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.2864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.4395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 1.9204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 1.0735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 1.3004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 3.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 3.8794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 3.6525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.6664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5711 1.1117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7013 1.7414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 12 2 1 6 0 0 0 2 51 1 0 0 0 0 13 3 1 6 0 0 0 3 52 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 14 5 1 1 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 19 2 0 0 0 0 6 32 1 0 0 0 0 7 28 1 0 0 0 0 7 30 1 0 0 0 0 7 65 1 0 0 0 0 8 27 1 0 0 0 0 8 32 2 0 0 0 0 9 28 2 0 0 0 0 9 33 1 0 0 0 0 10 27 1 0 0 0 0 10 79 1 0 0 0 0 10 80 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 1 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 23 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 24 1 0 0 0 0 20 25 2 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 26 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 25 1 0 0 0 0 24 27 2 0 0 0 0 25 62 1 0 0 0 0 26 28 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 29 31 1 0 0 0 0 29 35 1 0 0 0 0 29 36 1 0 0 0 0 29 37 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 31 34 2 0 0 0 0 31 38 1 0 0 0 0 32 66 1 0 0 0 0 33 39 1 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 38 39 2 0 0 0 0 38 77 1 0 0 0 0 39 78 1 0 0 0 0 M END > 67818472 > 1 > 797 > 8 > 4 > 10 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAWLEgAA8QAAAAAAAAFgB/gAAHgAQCAAADjzhnwY/8P/NlgCgAzZnZACCgC2xEqAJ2SA4dJiLeOLA2dGfZAhvkALbyCewkMIPiAAAQAAAACAQAACAAAAAQAAAAAAAAA== > (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-isopropyl-amino]methyl]tetrahydrofuran-3,4-diol > (2R,3R,4S,5R)-2-(4-amino-7-pyrrolo[2,3-d]pyrimidinyl)-5-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]oxolane-3,4-diol > (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]oxolane-3,4-diol > (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]oxolane-3,4-diol > (2R,3R,4S,5R)-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-yl-amino]methyl]oxolane-3,4-diol > (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-isopropyl-amino]methyl]tetrahydrofuran-3,4-diol > InChI=1S/C29H41N7O3/c1-17(2)35(12-7-6-8-23-33-20-10-9-18(29(3,4)5)14-21(20)34-23)15-22-24(37)25(38)28(39-22)36-13-11-19-26(30)31-16-32-27(19)36/h9-11,13-14,16-17,22,24-25,28,37-38H,6-8,12,15H2,1-5H3,(H,33,34)(H2,30,31,32)/t22-,24-,25-,28-/m1/s1 > CRGXNUCPDBKZBI-ZYWWQZICSA-N > 3.6 > 535.32708820 > C29H41N7O3 > 535.7 > CC(C)N(CCCCC1=NC2=C(N1)C=C(C=C2)C(C)(C)C)CC3C(C(C(O3)N4C=CC5=C(N=CN=C54)N)O)O > CC(C)N(CCCCC1=NC2=C(N1)C=C(C=C2)C(C)(C)C)C[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC5=C(N=CN=C54)N)O)O > 138 > 535.32708820 > 0 > 39 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 5 19 24 8 12 2 6 20 25 8 24 25 8 24 27 8 13 3 6 30 33 8 30 34 8 31 34 8 31 38 8 33 39 8 38 39 8 14 5 5 5 19 8 5 20 8 6 19 8 6 32 8 7 28 8 7 30 8 8 27 8 8 32 8 9 28 8 9 33 8 $$$$