4909 -OEChem-10051719233D 30 31 0 0 0 0 0 0 0999 V2000 -1.4743 -2.3135 -0.3835 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5353 2.2626 -0.4939 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4865 -1.1694 1.6021 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5346 1.2083 1.5420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6261 -0.0119 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9206 -0.0462 -1.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9084 0.0005 -0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -1.2811 0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 1.2655 0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 0.0446 2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4107 -0.0275 -2.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6009 -1.2020 -0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5785 1.2138 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -1.1908 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9652 1.2248 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6696 0.0224 0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4898 -0.9448 -2.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4589 0.8093 -2.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7815 0.0560 3.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1286 0.0721 2.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8463 -1.9733 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9226 2.0231 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9506 -0.8516 -1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 0.9045 -1.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5765 -0.1285 -3.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1082 -2.1646 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0679 2.1689 -0.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5371 -2.1267 0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4974 2.1693 0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7495 0.0311 0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 9 2 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 13 15 2 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 M END > DB00794 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DQMZLTXERSFNPB-UHFFFAOYSA-N/SDF?record_type=3d > CCC1(C(=O)NCNC1=O)C1=CC=CC=C1 > InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16) > DQMZLTXERSFNPB-UHFFFAOYSA-N > C12H14N2O2 > 218.2518 > 218.105527702 > 2 > 30 > -5.579066526684201e-05 > 22.443778126134266 > 1 > 2 > 0 > 1 > 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione > 0.62 > 1.1182988526666666 > -2.32 > 0 > 0 > 2 > 0 > 11.620389416238778 > 11.497225813561856 > -6.172907226234985 > 58.2 > 59.03760000000001 > 2 > 1 > 1.04e+00 g/l > tetrahydrofolic acid > 0 $$$$