44420924 -OEChem-04262417342D 54 58 0 1 0 0 0 0 0999 V2000 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 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 11.6837 3.3934 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 10.0355 2.8611 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 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 12.2899 3.2635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8449 3.4510 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 2.4752 0.9778 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 14 1 0 0 0 0 1 16 1 0 0 0 0 13 2 1 1 0 0 0 2 37 1 0 0 0 0 15 3 1 1 0 0 0 3 38 1 0 0 0 0 4 22 1 0 0 0 0 4 25 1 0 0 0 0 14 5 1 6 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 19 2 0 0 0 0 6 20 1 0 0 0 0 7 17 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 18 2 0 0 0 0 8 22 1 0 0 0 0 9 17 2 0 0 0 0 9 42 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 18 20 1 0 0 0 0 19 39 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 1 0 0 0 0 26 29 2 0 0 0 0 27 30 2 0 0 0 0 28 47 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 30 32 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 M END > 44420924 > 1 > 688 > 9 > 6 > 6 > AAADceB7+AAAAAAAAAAAAAAAAAAAAWLEgAA8QAAAAAAAAFgB/gAAHgAQCAAADBzhnwY98P/NlgCgAzZnZASCgC2xEqAJ2aA4dJiLeOLA2dGfZAhv0APbyCew0OMOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2R,3S,4R,5R)-5-[6-amino-2-[2-(1H-indol-3-yl)ethoxy]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxamidine > (2R,3S,4R,5R)-5-[6-amino-2-[2-(1H-indol-3-yl)ethoxy]-9-purinyl]-3,4-dihydroxy-2-oxolanecarboximidamide > (2R,3S,4R,5R)-5-[6-amino-2-[2-(1H-indol-3-yl)ethoxy]purin-9-yl]-3,4-dihydroxyoxolane-2-carboximidamide > (2R,3S,4R,5R)-5-[6-amino-2-[2-(1H-indol-3-yl)ethoxy]purin-9-yl]-3,4-dihydroxyoxolane-2-carboximidamide > (2R,3S,4R,5R)-5-[6-azanyl-2-[2-(1H-indol-3-yl)ethoxy]purin-9-yl]-3,4-bis(oxidanyl)oxolane-2-carboximidamide > (2R,3S,4R,5R)-5-[6-amino-2-[2-(1H-indol-3-yl)ethoxy]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxamidine > InChI=1S/C20H22N8O4/c21-16(22)15-13(29)14(30)19(32-15)28-8-25-12-17(23)26-20(27-18(12)28)31-6-5-9-7-24-11-4-2-1-3-10(9)11/h1-4,7-8,13-15,19,24,29-30H,5-6H2,(H3,21,22)(H2,23,26,27)/t13-,14+,15-,19+/m0/s1 > AWBHOELFSQMGIY-QCUYGVNKSA-N > 0.2 > 438.17640121 > C20H22N8O4 > 438.4 > C1=CC=C2C(=C1)C(=CN2)CCOC3=NC(=C4C(=N3)N(C=N4)C5C(C(C(O5)C(=N)N)O)O)N > C1=CC=C2C(=C1)C(=CN2)CCOC3=NC(=C4C(=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)C(=N)N)O)O)N > 194 > 438.17640121 > 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 13 2 5 20 21 8 24 26 8 24 28 8 26 27 8 26 29 8 27 30 8 29 31 8 15 3 5 30 32 8 31 32 8 14 5 6 5 18 8 5 19 8 6 19 8 6 20 8 8 18 8 8 22 8 $$$$