69775162 -OEChem-05062419172D 56 61 0 1 0 0 0 0 0999 V2000 2.0000 -0.8393 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.1862 0.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2305 -2.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7427 -1.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9634 1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5239 -0.2804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 0.8971 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9509 -0.6211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 2.0213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3311 1.5321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6818 2.0610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0205 -1.2478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5186 -0.3828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9982 -1.0378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1006 -0.0430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1555 -1.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9656 0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0258 0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0484 0.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8609 -1.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0772 -0.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 1.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3717 0.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0567 -0.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 1.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3764 1.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3717 0.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0627 1.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6591 2.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6868 -0.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0473 1.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 -0.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3444 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1821 -0.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8390 -1.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0668 0.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8444 -1.2133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6192 -2.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4666 -2.2859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1788 -0.1234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5759 0.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7706 -2.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3320 -1.5125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9922 -1.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0957 -0.7133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6910 -0.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2186 1.9997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4565 2.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 -0.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2830 -0.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 2.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4997 1.7699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8484 2.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8852 -0.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8626 2.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 1.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 12 3 1 1 0 0 0 3 42 1 0 0 0 0 14 4 1 1 0 0 0 4 43 1 0 0 0 0 5 17 1 0 0 0 0 5 52 1 0 0 0 0 13 6 1 6 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 26 1 0 0 0 0 8 19 1 0 0 0 0 8 20 2 0 0 0 0 9 25 1 0 0 0 0 9 28 1 0 0 0 0 9 51 1 0 0 0 0 10 18 1 0 0 0 0 10 29 2 0 0 0 0 11 26 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 6 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 19 26 1 0 0 0 0 20 44 1 0 0 0 0 21 24 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 29 53 1 0 0 0 0 30 32 2 0 0 0 0 30 54 1 0 0 0 0 31 33 2 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 33 56 1 0 0 0 0 M END > 69775162 > 1 > 739 > 9 > 4 > 3 > AAADceB7uQAAAAAAAAAAAAAAAAAAAWLEgAA8WIAAAAAAAFgB/gAAHwAQCAAADFzhnw438P/NlgCgAyZjZACCgC0xEqAJ2SA4dJiLeOLA2dGeZAhvkALbyCfwsMIOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2R,3R,4R,5R)-2-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)purin-9-yl]-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol > (2R,3R,4R,5R)-2-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-9-purinyl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol > (2R,3R,4R,5R)-2-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol > (2R,3R,4R,5R)-2-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol > (2R,3R,4R,5R)-2-[6-(6-fluoranyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)purin-9-yl]-5-(hydroxymethyl)-3-methyl-oxolane-3,4-diol > (2R,3R,4R,5R)-2-[6-(6-fluoro-1,3,4,9-tetrahydro-beta-carbolin-2-yl)purin-9-yl]-3-methyl-5-methylol-tetrahydrofuran-3,4-diol > InChI=1S/C22H23FN6O4/c1-22(32)18(31)16(8-30)33-21(22)29-10-26-17-19(24-9-25-20(17)29)28-5-4-12-13-6-11(23)2-3-14(13)27-15(12)7-28/h2-3,6,9-10,16,18,21,27,30-32H,4-5,7-8H2,1H3/t16-,18-,21-,22-/m1/s1 > JRVAOZSRZPMIGC-LVOPCWDJSA-N > 0.9 > 454.17648140 > C22H23FN6O4 > 454.5 > CC1(C(C(OC1N2C=NC3=C2N=CN=C3N4CCC5=C(C4)NC6=C5C=C(C=C6)F)CO)O)O > C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N4CCC5=C(C4)NC6=C5C=C(C=C6)F)CO)O)O > 133 > 454.17648140 > 0 > 33 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 18 8 10 29 8 11 26 8 11 29 8 15 17 6 18 19 8 19 26 8 23 25 8 23 27 8 27 28 8 27 30 8 28 31 8 12 3 5 30 32 8 31 33 8 32 33 8 14 4 5 13 6 6 6 18 8 6 20 8 8 19 8 8 20 8 9 25 8 9 28 8 $$$$