8271 -OEChem-10051719243D 32 33 0 1 0 0 0 0 0999 V2000 -1.1657 0.1071 2.3104 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3734 2.0993 -1.7906 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6674 -1.8437 -1.6334 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8309 -0.9920 0.3719 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4224 0.0682 -1.6964 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1025 0.7848 0.2416 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1013 2.1346 0.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 0.0830 0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0904 -0.0361 1.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 1.0780 -1.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2149 2.8582 1.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0055 -0.9998 -1.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3139 0.7304 -0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4416 -1.1871 0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5742 -1.9834 1.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5516 0.0971 -0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -1.8202 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7342 -1.1782 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 2.8016 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5683 1.9809 1.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7275 3.0566 0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9147 2.3418 1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0237 3.8340 1.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6653 0.1611 -2.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1985 1.7191 -0.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6598 -1.7304 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5898 -1.6042 1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1079 -2.1564 2.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6289 -2.9301 0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3727 0.5959 -1.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8226 -2.8129 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6979 -1.6714 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 12 2 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 14 17 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 M END > DB00849 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ALARQZQTBTVLJV-UHFFFAOYSA-N/SDF?record_type=3d > CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1 > InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18) > ALARQZQTBTVLJV-UHFFFAOYSA-N > C13H14N2O3 > 246.2619 > 246.100442324 > 3 > 32 > -0.28521424867960227 > 24.616091664808366 > 1 > 1 > 0 > 1 > 5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione > 1.95 > 1.6300061936666659 > -2.54 > 0 > 0 > 2 > -1 > 7.399004668484811 > 66.48 > 64.643 > 2 > 1 > 7.10e-01 g/l > tetrahydrofolic acid > 0 $$$$