HMDB0243527 RDKit 3D 5-Ethyl-5-[(2S)-pentan-2-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione 34 34 0 0 0 0 0 0 0 0999 V2000 3.6533 -0.3943 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7547 -0.0803 -0.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3106 -0.4212 -0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5286 0.2411 0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -0.0857 1.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9509 -0.0725 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1408 -1.5533 0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6126 -1.9259 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5742 0.4532 -1.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8883 -0.2644 -2.0735 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8133 1.8485 -1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9411 2.6391 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2186 4.2655 -0.1113 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8259 2.0067 1.2461 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5869 0.5994 1.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9132 -0.0217 2.3645 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3538 -1.2294 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0324 0.5030 0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 -0.7879 -0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1231 -0.6438 -1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8502 1.0256 -1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8779 -0.2839 -1.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2892 -1.5604 -0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6004 1.3728 0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9887 0.4277 1.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3505 0.2913 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2116 -1.1798 1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7645 -1.8468 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 -2.0959 -0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2119 -1.2098 0.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7076 -2.9178 0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 -2.0144 -0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 2.3374 -2.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9171 2.5776 2.1328 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 4 6 1 0 6 7 1 0 7 8 1 0 6 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 0 15 6 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 5 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 8 32 1 0 11 33 1 0 14 34 1 0 M END