70676311 -OEChem-03192406132D 66 69 0 1 0 0 0 0 0999 V2000 6.4080 1.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8945 2.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 0.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4157 2.3557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6838 -0.3093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7121 3.4204 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6838 -1.9188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8715 -0.1140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0055 -1.6140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8715 -3.1140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9477 1.9486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9460 0.9486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9972 2.2593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9944 0.6412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4767 1.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6898 3.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2867 2.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2847 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4047 4.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0416 2.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -0.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2674 -1.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -1.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0639 2.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4269 4.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0751 5.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8715 -2.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3934 2.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0055 -0.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0055 -3.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0055 -4.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1395 -5.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9503 2.7986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9456 0.0986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3850 2.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3819 0.5453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3040 3.2961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7126 3.8304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6503 1.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7890 2.3959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9232 2.5346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9194 0.3558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7857 0.4915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6500 1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0109 4.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8084 2.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5669 2.3490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8874 -1.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2971 3.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5386 3.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5569 5.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8207 4.7116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 3.9754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5351 4.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4908 5.5741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6151 5.5297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1602 1.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9187 1.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4686 -0.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4084 -3.4240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -3.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3949 -3.7217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5424 -4.9240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6025 -4.8040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1395 -5.7340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 28 1 0 0 0 0 4 61 1 0 0 0 0 14 5 1 6 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 22 2 0 0 0 0 7 23 1 0 0 0 0 8 21 2 0 0 0 0 8 29 1 0 0 0 0 9 27 1 0 0 0 0 9 29 2 0 0 0 0 10 27 1 0 0 0 0 10 30 1 0 0 0 0 10 60 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 6 0 0 0 12 14 1 0 0 0 0 12 34 1 6 0 0 0 13 16 1 6 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 19 45 1 0 0 0 0 20 24 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 23 1 0 0 0 0 22 48 1 0 0 0 0 23 27 2 0 0 0 0 24 28 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 2 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 M END > 70676311 > 1 > 638 > 9 > 2 > 10 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAWJEgAAsAAAAAAASAFgB+AAAHgAQCAAACDzhlwYH+L/MFgCgASZjZACAgC0REKAJUKAoVBCTWAJAyUA/RAgPEALWACCwEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-[[(3aR,4R,6R,6aR)-4-[6-(allylamino)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-isopropyl-amino]propan-1-ol > 3-[[(3aR,4R,6R,6aR)-2,2-dimethyl-4-[6-(prop-2-enylamino)-9-purinyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-propan-2-ylamino]-1-propanol > 3-[[(3aR,4R,6R,6aR)-2,2-dimethyl-4-[6-(prop-2-enylamino)purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-propan-2-ylamino]propan-1-ol > 3-[[(3aR,4R,6R,6aR)-2,2-dimethyl-4-[6-(prop-2-enylamino)purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-propan-2-ylamino]propan-1-ol > 3-[[(3aR,4R,6R,6aR)-2,2-dimethyl-4-[6-(prop-2-enylamino)purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-propan-2-yl-amino]propan-1-ol > 3-[[(3aR,4R,6R,6aR)-4-[6-(allylamino)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-isopropyl-amino]propan-1-ol > InChI=1S/C22H34N6O4/c1-6-8-23-19-16-20(25-12-24-19)28(13-26-16)21-18-17(31-22(4,5)32-18)15(30-21)11-27(14(2)3)9-7-10-29/h6,12-15,17-18,21,29H,1,7-11H2,2-5H3,(H,23,24,25)/t15-,17-,18-,21-/m1/s1 > VKRANYQUPVRCPG-QTQZEZTPSA-N > 1.6 > 446.26415359 > C22H34N6O4 > 446.5 > CC(C)N(CCCO)CC1C2C(C(O1)N3C=NC4=C(N=CN=C43)NCC=C)OC(O2)(C)C > CC(C)N(CCCO)C[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C(N=CN=C43)NCC=C)OC(O2)(C)C > 107 > 446.26415359 > 0 > 32 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 33 6 12 34 6 13 16 6 21 23 8 23 27 8 14 5 6 5 21 8 5 22 8 7 22 8 7 23 8 8 21 8 8 29 8 9 27 8 9 29 8 $$$$