70270985 -OEChem-04242418522D 58 61 0 1 0 0 0 0 0999 V2000 4.4775 4.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 4.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 6.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2021 5.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0165 13.3013 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2152 3.1147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 1.5053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6916 10.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9395 4.8753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5287 5.6833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5259 4.0652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4792 5.3726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8255 12.7135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6345 13.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3255 14.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3255 14.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2892 5.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8255 11.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0654 12.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9595 11.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6916 11.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9595 10.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8255 9.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 5.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 6.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 3.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 5.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3780 12.4320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9445 12.7644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2009 13.5535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 14.3813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2607 14.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3903 14.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7191 14.3813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6368 6.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 6.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 5.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 7.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8739 13.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4758 12.8007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 12.4026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4226 11.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2285 11.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7043 5.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4226 9.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8255 9.0935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 12 2 1 6 0 0 0 2 45 1 0 0 0 0 13 3 1 6 0 0 0 3 46 1 0 0 0 0 4 20 1 0 0 0 0 4 53 1 0 0 0 0 5 16 1 0 0 0 0 5 19 1 0 0 0 0 5 23 1 0 0 0 0 14 6 1 1 0 0 0 6 22 1 0 0 0 0 6 24 1 0 0 0 0 7 24 2 0 0 0 0 7 25 1 0 0 0 0 8 22 2 0 0 0 0 8 30 1 0 0 0 0 9 27 1 0 0 0 0 9 31 2 0 0 0 0 10 28 1 0 0 0 0 10 30 2 0 0 0 0 11 28 1 0 0 0 0 11 57 1 0 0 0 0 11 58 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 32 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 20 1 1 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 26 1 0 0 0 0 21 27 2 0 0 0 0 22 25 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 28 2 0 0 0 0 26 29 2 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 29 31 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 M END > 70270985 > 1 > 482 > 10 > 4 > 3 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWLEgAAsWAAAAAAAAFgB/gAAHgAQCAAADDzhnwY/8L9MFgCgAzZnZACCgC0xEqAJ2CA4dJiLeOLA2dGeZAhvgALbyCfwsIIOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine > (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine > (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine > (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine > (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine > (2R,3R,4S,5R)-2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine > InChI=1S/C10H13N5O4.C10H14N2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);2,4,6,8,10H,3,5,7H2,1H3/t4-,6-,7-,10-;10-/m10/s1 > GXDQRUABXSGKQL-ISFWSTNXSA-N > 429.21245237 > C20H27N7O4 > 429.5 > CN1CCCC1C2=CN=CC=C2.C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N > CN1CCC[C@H]1C2=CN=CC=C2.C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N > 156 > 429.21245237 > 0 > 31 > 5 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 28 8 10 30 8 15 20 5 16 21 5 12 2 6 21 26 8 21 27 8 22 25 8 25 28 8 26 29 8 29 31 8 13 3 6 14 6 5 6 22 8 6 24 8 7 24 8 7 25 8 8 22 8 8 30 8 9 27 8 9 31 8 $$$$