HMDB0253057 RDKit 3D 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphe... 47 49 0 0 0 0 0 0 0 0999 V2000 6.6261 0.5863 0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6757 -0.6141 0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1605 -1.7836 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 -0.1151 0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -0.3344 -0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4157 0.2201 -1.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7923 0.9810 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5163 1.5570 -0.4125 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3832 1.0633 -1.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2064 0.0792 -2.0787 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 1.7695 -1.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7382 0.7672 -1.5388 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1267 0.0484 -2.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0649 -0.8139 -2.2178 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 -0.6816 -0.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 0.3200 -0.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5034 0.6734 0.8562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7546 1.5765 1.2562 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3298 0.0666 1.7198 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3700 0.4497 3.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1467 -0.9080 1.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9316 -1.4945 2.1014 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1239 -1.2744 -0.0059 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9766 -2.3415 -0.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4305 1.2165 1.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6562 0.6659 1.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6235 0.1794 0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3138 1.2351 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6301 1.1322 1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6742 -0.8647 1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8416 -2.7315 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2767 -1.7686 -0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8955 -1.8302 -1.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1604 -0.9397 -1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 0.0058 -2.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2326 2.4202 0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6211 2.3272 -2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8722 2.5104 -0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7504 0.1545 -3.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8112 1.4804 3.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 0.5212 3.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9275 -0.2978 3.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8970 -2.4431 0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2140 -2.1901 -1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3663 -3.2838 -0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8806 1.8432 1.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1345 0.8604 2.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 7 25 1 0 25 26 2 0 26 4 1 0 16 12 1 0 23 15 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 3 33 1 0 5 34 1 0 6 35 1 0 8 36 1 0 11 37 1 0 11 38 1 0 13 39 1 0 20 40 1 0 20 41 1 0 20 42 1 0 24 43 1 0 24 44 1 0 24 45 1 0 25 46 1 0 26 47 1 0 M END