53461739 CDK 0429211257 41 45 0 0 0 0 0 0 0 0999 V2000 3.3579 3.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 2.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8811 10.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 10.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3101 8.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1786 5.0823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0724 0.5400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5956 9.2558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0245 9.2558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5911 4.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7868 3.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5838 3.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8863 4.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5972 5.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 5.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1847 5.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0724 3.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 4.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0724 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5436 4.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3579 1.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7868 1.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3579 0.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6204 2.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7868 0.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6204 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8729 1.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8729 0.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3101 10.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8976 11.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 11.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5956 10.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0245 10.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4439 1.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0726 11.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5476 11.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3101 11.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3101 8.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9601 11.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 12.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5476 12.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 27 1 0 0 0 0 2 34 1 0 0 0 0 3 32 2 0 0 0 0 4 33 2 0 0 0 0 5 38 2 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 23 2 0 0 0 0 7 25 1 0 0 0 0 8 32 1 0 0 0 0 8 38 1 0 0 0 0 9 33 1 0 0 0 0 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 23 26 1 0 0 0 0 24 27 2 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 0 0 0 0 30 35 1 0 0 0 0 31 36 2 0 0 0 0 31 37 1 0 0 0 0 36 39 1 0 0 0 0 37 40 2 0 0 0 0 39 41 2 0 0 0 0 40 41 1 0 0 0 0 M END > CHEBI:171719 > Quinidine barbiturate > 2 > (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione > C20H24N2O2.C12H12N2O3 > 556.663 > 556.26857 > 0 > OC(C1N2CC(C(C1)CC2)C=C)C3=C4C(=NC=C3)C=CC(OC)=C4.O=C1NC(=O)NC(=O)C1(CC)C2=CC=CC=C2 > InChI=1S/C20H24N2O2.C12H12N2O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17) > YHRUERMOPBDCFD-UHFFFAOYSA-N > DB01346 $$$$