HMDB0244283 RDKit 3D 2-((5-(Diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)(hexyl)amino)ethanol 54 55 0 0 0 0 0 0 0 0999 V2000 5.8435 1.8754 -0.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4279 0.4525 -0.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4025 0.3553 0.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1438 1.1248 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 1.0889 1.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4492 -0.1334 1.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7228 -1.0296 0.7828 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1857 -1.9812 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8276 -1.5894 -1.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 -0.8151 -2.2092 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7343 -0.9639 0.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -0.3118 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8842 -0.2499 0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7332 0.4151 -0.7488 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2557 -0.3691 -1.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7421 -0.5549 -1.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 1.7992 -0.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4831 2.5208 0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3626 -0.8630 1.2727 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6103 -1.5095 2.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8648 -2.1715 3.3256 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7141 -2.6333 3.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7533 -2.2382 3.0119 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2553 -1.5576 1.9887 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9627 1.9609 -1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3367 2.2107 -1.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5173 2.5414 -0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3156 -0.1313 -0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0615 -0.0051 -1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8685 0.7686 1.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1602 -0.7077 0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 0.9898 -0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5355 2.2257 0.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3069 1.8560 0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5223 1.6486 2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7939 0.1447 2.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2787 -0.7063 2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9482 -2.6444 0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4018 -2.7680 -0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 -1.2842 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9513 -2.5976 -2.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4074 -0.6034 -3.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0987 0.1855 -0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1822 0.1827 -2.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7168 -1.3290 -1.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3223 -0.5084 -2.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9449 -1.5527 -1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 0.2174 -0.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2149 1.9386 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 2.3395 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9943 3.5200 0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6867 1.9498 1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4119 2.7100 0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6058 -3.2121 4.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 7 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 17 18 1 0 13 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 11 1 0 24 20 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 10 42 1 0 12 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 18 53 1 0 22 54 1 0 M END