16203539 -OEChem-05092412442D 53 57 0 1 0 0 0 0 0999 V2000 2.3572 1.3390 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7314 0.8919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0774 -0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0812 1.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6837 3.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 -0.6734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0072 -0.8687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0072 -2.4782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 -0.6734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 -2.1734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 -3.6734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 -2.3714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2694 0.3892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3178 0.0818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2712 1.3892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3206 1.6999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0133 2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5908 -1.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 -2.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 -2.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 -0.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8648 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -1.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7617 -2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 -1.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 0.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1714 -0.2230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7555 -0.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8231 1.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7084 1.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6324 3.1407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4653 2.3613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6443 0.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6471 1.7224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2108 -1.6734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4931 3.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1293 -0.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 -0.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1983 -1.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9954 -1.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2232 -2.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6580 -3.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7319 -3.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5397 -2.9386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 0.6437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 -1.7679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -0.2280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 13 3 1 1 0 0 0 3 39 1 0 0 0 0 15 4 1 1 0 0 0 4 40 1 0 0 0 0 5 17 1 0 0 0 0 5 42 1 0 0 0 0 6 22 1 0 0 0 0 6 25 1 0 0 0 0 14 7 1 6 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 19 2 0 0 0 0 8 20 1 0 0 0 0 9 18 2 0 0 0 0 9 22 1 0 0 0 0 10 21 1 0 0 0 0 10 22 2 0 0 0 0 11 21 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 6 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 26 1 0 0 0 0 24 28 2 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 28 47 1 0 0 0 0 29 31 2 0 0 0 0 29 51 1 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 32 53 1 0 0 0 0 M END > 16203539 > 1 > 654 > 10 > 5 > 6 > AAADceB7uQAAAAAAAAAAAAAAAAAAAWLEgAA8QAAAAAAAAFgB/gAAHwAQCAAADBzhnw498P/NlgCgAzZnZACCgC0xEqAJ2aA4dJiLeOLA2dGeZAhv0APbyCfw8OMOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2R,3R,4S,5R)-2-[6-amino-2-[2-(5-fluoro-1H-indol-3-yl)ethoxy]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol > (2R,3R,4S,5R)-2-[6-amino-2-[2-(5-fluoro-1H-indol-3-yl)ethoxy]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-[6-amino-2-[2-(5-fluoro-1H-indol-3-yl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-[6-amino-2-[2-(5-fluoro-1H-indol-3-yl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-[6-azanyl-2-[2-(5-fluoranyl-1H-indol-3-yl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-[6-amino-2-[2-(5-fluoro-1H-indol-3-yl)ethoxy]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol > InChI=1S/C20H21FN6O5/c21-10-1-2-12-11(5-10)9(6-23-12)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1 > VEJNLHIDLOHNST-NVQRDWNXSA-N > 1.4 > 444.15574595 > C20H21FN6O5 > 444.4 > C1=CC2=C(C=C1F)C(=CN2)CCOC3=NC(=C4C(=N3)N(C=N4)C5C(C(C(O5)CO)O)O)N > C1=CC2=C(C=C1F)C(=CN2)CCOC3=NC(=C4C(=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N > 165 > 444.15574595 > 0 > 32 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 21 8 10 22 8 12 27 8 12 28 8 16 17 6 18 20 8 20 21 8 24 26 8 24 28 8 26 27 8 26 29 8 27 30 8 29 31 8 13 3 5 30 32 8 31 32 8 15 4 5 14 7 6 7 18 8 7 19 8 8 19 8 8 20 8 9 18 8 9 22 8 $$$$