9871419 -OEChem-04262402102D 64 68 0 1 0 0 0 0 0999 V2000 3.7320 1.0078 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -6.3582 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -7.3582 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2824 4.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3466 1.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3504 3.6568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3159 6.7682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 0.0078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.7969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -3.3582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -2.4922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5981 -2.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 1.7630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5386 2.0704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0006 2.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5898 3.3811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5403 3.0704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0981 -4.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -4.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -4.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9528 5.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -5.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -5.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -6.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6455 6.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 -3.5187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0365 -2.9306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4904 -1.8816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0155 -2.7042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9745 1.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0915 2.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 2.9888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5392 2.1590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9776 3.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4444 3.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -4.5482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 -4.5482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9134 1.7324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9163 3.4036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3337 4.5854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5008 5.3648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 -6.1682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2646 6.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0976 5.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1253 7.3582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.1155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.4252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 34 1 0 0 0 0 2 29 1 0 0 0 0 3 32 1 0 0 0 0 20 4 1 6 0 0 0 4 28 1 0 0 0 0 18 5 1 1 0 0 0 5 50 1 0 0 0 0 21 6 1 1 0 0 0 6 51 1 0 0 0 0 7 33 1 0 0 0 0 7 59 1 0 0 0 0 15 8 1 1 0 0 0 8 23 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 17 9 1 6 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 11 25 1 0 0 0 0 12 23 1 0 0 0 0 12 31 2 0 0 0 0 13 24 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 6 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 18 21 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 26 29 1 0 0 0 0 26 48 1 0 0 0 0 27 30 2 0 0 0 0 27 49 1 0 0 0 0 28 33 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 32 2 0 0 0 0 30 32 1 0 0 0 0 30 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 35 36 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 M END > 9871419 > 1 > 736 > 12 > 4 > 10 > AAADceB7uYBAAAAAAAAAAAAAGAAAAeIAAAA8QAAAAAAAAFgB/AAAHwQYCAAADTzl3w6z8L7IFgiiAyZiZACC1C9hkLAd2KAoVJiLeCLg2VGWZAgvkALbiCfwsMoOgAAAAAAAAAAAAAAAAAAAAAUAACgAAA== > (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol > (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol > (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol > (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol > (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-[3,4-bis(fluoranyl)phenyl]cyclopropyl]amino]-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethyloxy)cyclopentane-1,2-diol > (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol > InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1 > OEKWJQXRCDYSHL-FNOIDJSQSA-N > 2 > 522.18608089 > C23H28F2N6O4S > 522.6 > CCCSC1=NC(=C2C(=N1)N(N=N2)C3CC(C(C3O)O)OCCO)NC4CC4C5=CC(=C(C=C5)F)F > CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F > 164 > 522.18608089 > 0 > 36 > 6 > 0 > 0 > 0 > 0 > 1 > 4 > 1 5 255 > 10 11 8 11 25 8 12 23 8 12 31 8 13 24 8 13 31 8 14 22 6 22 26 8 22 27 8 23 25 8 24 25 8 26 29 8 27 30 8 29 32 8 30 32 8 20 4 6 18 5 5 21 6 5 15 8 5 9 10 8 17 9 6 9 24 8 $$$$