46876435 -OEChem-05231312272D 65 70 0 1 0 0 0 0 0999 V2000 9.6389 3.1817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9849 2.0899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9886 4.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5911 5.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9146 1.4212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9146 -0.1883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1024 1.6165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7954 -3.7154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1024 -1.3835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2364 0.1165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1769 2.6791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2253 2.3717 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1786 3.6791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2281 3.9897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9207 4.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9684 1.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4982 0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9684 0.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1024 -0.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3703 -3.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2364 -2.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2364 -1.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2673 -4.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -4.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -2.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8013 -3.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2364 1.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9351 -5.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9781 -5.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3977 -2.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6244 -6.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6460 -6.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9883 -1.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4036 -2.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5847 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5906 -0.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7298 2.9596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6629 1.9326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0827 4.2916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6159 4.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5398 5.4306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3728 4.6512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5517 2.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5546 4.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1182 0.6165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4006 6.2733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4484 -3.4662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8469 -2.7759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0243 -1.3009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6258 -1.9912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6393 -1.6935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3347 -2.3718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1992 -3.7554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8424 -4.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6994 1.4265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5418 -4.9887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3714 -5.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0385 -6.5286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4533 -6.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6047 -1.9525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0374 -3.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9509 -0.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -1.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3404 -0.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 11 2 1 1 0 0 0 2 44 1 0 0 0 0 13 3 1 1 0 0 0 3 45 1 0 0 0 0 4 15 1 0 0 0 0 4 47 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 17 2 0 0 0 0 6 18 1 0 0 0 0 7 16 2 0 0 0 0 7 27 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 19 1 0 0 0 0 9 22 1 0 0 0 0 9 52 1 0 0 0 0 10 19 1 0 0 0 0 10 27 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 6 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 25 2 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 29 2 0 0 0 0 25 53 1 0 0 0 0 26 30 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 28 31 1 0 0 0 0 28 57 1 0 0 0 0 29 32 1 0 0 0 0 29 58 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 31 32 2 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 33 35 1 0 0 0 0 33 61 1 0 0 0 0 34 36 2 0 0 0 0 34 62 1 0 0 0 0 35 37 2 0 0 0 0 35 63 1 0 0 0 0 36 37 1 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 M END > 46876435 > 1 > 744 > 8 > 4 > 8 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWLEgAA8YIAAAAAAAFgB/gAAHgAQCAAADBzhnwY98P/MFgCgAzZnZACCgC0xEqAJ2KA4dJiLeOLA2dGeZAhvkALbyCfwsMIOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (3R,4S,5R)-2-[6-[2-(1-benzylindol-3-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol > (2R,3S,4R)-2-(hydroxymethyl)-5-[6-[2-[1-(phenylmethyl)-3-indolyl]ethylamino]-9-purinyl]oxolane-3,4-diol > (3R,4S,5R)-2-[6-[2-(1-benzylindol-3-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol > (2R,3S,4R)-2-(hydroxymethyl)-5-[6-[2-[1-(phenylmethyl)indol-3-yl]ethylamino]purin-9-yl]oxolane-3,4-diol > (3R,4S,5R)-2-[6-[2-(1-benzylindol-3-yl)ethylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol > InChI=1S/C27H28N6O4/c34-14-21-23(35)24(36)27(37-21)33-16-31-22-25(29-15-30-26(22)33)28-11-10-18-13-32(12-17-6-2-1-3-7-17)20-9-5-4-8-19(18)20/h1-9,13,15-16,21,23-24,27,34-36H,10-12,14H2,(H,28,29,30)/t21-,23-,24-,27?/m1/s1 > LTOYUYRDECAFNR-XZSCCTSWSA-N > 3.2 > 500.217203 > C27H28N6O4 > 500.54902 > C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CCNC4=NC=NC5=C4N=CN5C6C(C(C(O6)CO)O)O > C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CCNC4=NC=NC5=C4N=CN5C6[C@@H]([C@@H]([C@H](O6)CO)O)O > 131 > 500.217203 > 0 > 37 > 3 > 1 > 0 > 0 > 0 > 1 > 3 > 1 5 255 > 10 19 8 10 27 8 14 15 6 16 18 8 18 19 8 11 2 5 20 23 8 20 25 8 23 24 8 23 28 8 24 29 8 28 31 8 29 32 8 13 3 5 30 33 8 30 34 8 31 32 8 33 35 8 34 36 8 35 37 8 36 37 8 12 5 3 5 16 8 5 17 8 6 17 8 6 18 8 7 16 8 7 27 8 8 24 8 8 25 8 $$$$