16203668 -OEChem-03282416592D 59 63 0 1 0 0 0 0 0999 V2000 10.7314 1.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0774 0.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0812 2.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6837 3.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 -0.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0072 -0.2737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0072 -1.8832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 -0.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 -1.5784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 -3.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 -1.7764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2694 0.9842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3178 0.6768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2712 1.9842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3206 2.2949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0133 3.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5908 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 -1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 -2.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8648 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -0.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 -3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -0.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7617 -1.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 0.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 -0.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 -4.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1714 0.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7555 0.2377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8231 1.7018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7084 2.3929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6324 3.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4653 2.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6443 0.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6471 2.3174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2108 -1.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4931 4.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7319 -3.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1293 0.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 0.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1983 -1.0534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9954 -1.0534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1168 -2.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7183 -3.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2232 -1.9812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5397 -2.3436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 1.2387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 -1.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7089 -4.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 -5.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9489 -4.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 1.5728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 0.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 12 2 1 1 0 0 0 2 40 1 0 0 0 0 14 3 1 1 0 0 0 3 41 1 0 0 0 0 4 16 1 0 0 0 0 4 43 1 0 0 0 0 5 21 1 0 0 0 0 5 23 1 0 0 0 0 13 6 1 6 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 18 2 0 0 0 0 7 19 1 0 0 0 0 8 17 2 0 0 0 0 8 21 1 0 0 0 0 9 20 1 0 0 0 0 9 21 2 0 0 0 0 10 20 1 0 0 0 0 10 26 1 0 0 0 0 10 44 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 6 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 28 2 0 0 0 0 25 27 1 0 0 0 0 25 29 2 0 0 0 0 26 31 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 30 2 0 0 0 0 28 51 1 0 0 0 0 29 32 1 0 0 0 0 29 53 1 0 0 0 0 30 33 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 33 2 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 M END > 16203668 > 1 > 648 > 9 > 5 > 8 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWLEgAA8QAAAAAAAAFgB/gAAHgAQCAAADBzhnwY/8P/NlgCgAzZnZACCgC0xEqAJ2aA4dJiLeOLA2dGeZAhv0APbyCfw8OMOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2R,3R,4S,5R)-2-[6-(ethylamino)-2-[2-(1H-indol-3-yl)ethoxy]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol > (2R,3R,4S,5R)-2-[6-(ethylamino)-2-[2-(1H-indol-3-yl)ethoxy]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-[6-(ethylamino)-2-[2-(1H-indol-3-yl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-[6-(ethylamino)-2-[2-(1H-indol-3-yl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-[6-(ethylamino)-2-[2-(1H-indol-3-yl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-[6-(ethylamino)-2-[2-(1H-indol-3-yl)ethoxy]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol > InChI=1S/C22H26N6O5/c1-2-23-19-16-20(28(11-25-16)21-18(31)17(30)15(10-29)33-21)27-22(26-19)32-8-7-12-9-24-14-6-4-3-5-13(12)14/h3-6,9,11,15,17-18,21,24,29-31H,2,7-8,10H2,1H3,(H,23,26,27)/t15-,17-,18-,21-/m1/s1 > LFARSYIFQPUOHL-QTQZEZTPSA-N > 1.5 > 454.19646795 > C22H26N6O5 > 454.5 > CCNC1=C2C(=NC(=N1)OCCC3=CNC4=CC=CC=C43)N(C=N2)C5C(C(C(O5)CO)O)O > CCNC1=C2C(=NC(=N1)OCCC3=CNC4=CC=CC=C43)N(C=N2)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O > 151 > 454.19646795 > 0 > 33 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 27 8 11 28 8 15 16 6 17 19 8 19 20 8 12 2 5 24 25 8 24 28 8 25 27 8 25 29 8 27 30 8 29 32 8 14 3 5 30 33 8 32 33 8 13 6 6 6 17 8 6 18 8 7 18 8 7 19 8 8 17 8 8 21 8 9 20 8 9 21 8 $$$$