70397853 -OEChem-04252401482D 57 60 0 1 0 0 0 0 0999 V2000 8.4036 1.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7496 0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7533 2.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3558 4.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.4234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6793 -0.1187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6793 -1.7282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.9234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9416 1.1392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9900 0.8318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9433 2.1392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9928 2.4499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6854 3.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2629 -0.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8435 0.5270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4276 0.3927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4952 1.8568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3806 2.5479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3045 3.8907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 3.1113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3164 0.8012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3193 2.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8829 -0.9234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1652 4.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -3.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 0.9689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 1.6592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -3.5060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -2.8158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 2.1135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 1.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -2.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -3.5311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7334 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 38 1 0 0 0 0 14 3 1 1 0 0 0 3 39 1 0 0 0 0 4 16 1 0 0 0 0 4 41 1 0 0 0 0 5 31 1 0 0 0 0 5 57 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 21 1 0 0 0 0 10 22 1 0 0 0 0 10 42 1 0 0 0 0 11 20 1 0 0 0 0 11 43 1 0 0 0 0 11 44 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 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 6 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 48 1 0 0 0 0 28 31 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 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 M END > 70397853 > 1 > 590 > 10 > 6 > 7 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAFgB/AAAHgAQCAAADBzhnwY38L/MFgCgAyZjZACCgC0xEqAJ2CAodJiLeCLA2dGeZAhv0APbyCfw8OMOQAAAQAACAACAAACAAAQAAAAAAAAAAA== > (2R,3R,4S,5R)-2-[6-amino-2-[2-ethyl-5-(2-hydroxyethyl)anilino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol > (2R,3R,4S,5R)-2-[6-amino-2-[2-ethyl-5-(2-hydroxyethyl)anilino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-[6-amino-2-[2-ethyl-5-(2-hydroxyethyl)anilino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-[6-amino-2-[2-ethyl-5-(2-hydroxyethyl)anilino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-[6-azanyl-2-[[2-ethyl-5-(2-hydroxyethyl)phenyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-[6-amino-2-[2-ethyl-5-(2-hydroxyethyl)anilino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol > InChI=1S/C20H26N6O5/c1-2-11-4-3-10(5-6-27)7-12(11)23-20-24-17(21)14-18(25-20)26(9-22-14)19-16(30)15(29)13(8-28)31-19/h3-4,7,9,13,15-16,19,27-30H,2,5-6,8H2,1H3,(H3,21,23,24,25)/t13-,15-,16-,19-/m1/s1 > DJUDHXPLJZHRRR-NVQRDWNXSA-N > 1.2 > 430.19646795 > C20H26N6O5 > 430.5 > CCC1=C(C=C(C=C1)CCO)NC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N > CCC1=C(C=C(C=C1)CCO)NC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N > 172 > 430.19646795 > 0 > 31 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 16 6 17 19 8 19 20 8 12 2 5 22 23 8 22 24 8 23 27 8 24 25 8 25 29 8 27 29 8 14 3 5 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 $$$$