HMDB0252984 RDKit 3D Ethyl 4-[5-[(2-ethoxypyrimidin-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl... 62 65 0 0 0 0 0 0 0 0999 V2000 7.1076 -3.9927 2.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0433 -4.8349 1.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0666 -3.9431 0.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2941 -2.9530 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4553 -2.8015 -0.4712 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1814 -2.0916 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -2.2760 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8411 -1.5048 -0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0367 -0.5060 -1.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 0.3232 -1.6308 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1842 -0.1852 -2.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 0.6243 -2.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4604 0.0863 -3.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6159 -0.0219 -2.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5506 0.9758 -2.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5856 0.8258 -1.3529 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7226 -0.2738 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8257 -0.3431 0.2301 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0117 -1.4920 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2744 -1.2773 1.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8116 -1.2618 -0.6974 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7502 -1.1821 -1.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0856 1.9683 -2.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9486 2.8201 -2.5996 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0468 2.4530 -1.7464 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0402 1.6201 -1.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5204 2.3154 -0.6521 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3369 2.3386 1.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2681 3.2926 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 4.6058 1.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7075 5.5790 2.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6242 5.2174 2.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5799 6.1460 2.4875 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9909 3.9129 1.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0612 2.9391 1.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2927 -0.3000 -1.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3612 -1.0855 -1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7546 -3.4864 1.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6850 -4.5815 2.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5461 -3.1929 2.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5385 -5.4050 2.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4570 -5.4814 0.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7987 -3.0778 0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 -1.6849 0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2441 -1.2713 -2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -0.9273 -3.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 0.7118 -4.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4974 1.9042 -2.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1322 -2.4017 0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1159 -1.6468 1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0599 -0.8698 1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5826 -2.2612 2.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1053 -0.6176 2.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0402 -1.9952 -1.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3058 2.5840 1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0795 1.2982 1.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 4.9396 1.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9881 6.6149 2.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0331 3.5897 1.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3525 1.9277 1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3793 0.5063 -2.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3305 -0.8932 -1.8160 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 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 17 21 1 0 21 22 2 0 12 23 1 0 23 24 2 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 32 34 1 0 34 35 2 0 9 36 1 0 36 37 2 0 37 6 1 0 26 10 1 0 35 29 1 0 22 14 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 7 43 1 0 8 44 1 0 11 45 1 0 13 46 1 0 13 47 1 0 15 48 1 0 19 49 1 0 19 50 1 0 20 51 1 0 20 52 1 0 20 53 1 0 22 54 1 0 28 55 1 0 28 56 1 0 30 57 1 0 31 58 1 0 34 59 1 0 35 60 1 0 36 61 1 0 37 62 1 0 M END