21377484 -OEChem-05102422312D 37 39 0 0 0 0 0 0 0999 V2000 4.5981 4.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 4 13 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 15 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 12 18 1 0 0 0 0 12 25 1 0 0 0 0 14 17 1 0 0 0 0 14 26 1 0 0 0 0 15 19 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 M END > 21377484 > 1 > 575 > 3 > 1 > 2 > AAADccB7MAAAEAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHgBQAAABrAiBmAAzwIPAAACIAiVSUACCAAAhAgQIiAEAZOiIICrI0ZGEIAhohSLIy7cQgAAOAAAAEAACAAAAAAAgAAQAAAAAAAAAAA== > (5E)-5-[(3-bromophenyl)methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione > (5E)-5-[(3-bromophenyl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione > (5E)-5-[(3-bromophenyl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione > (5E)-5-[(3-bromophenyl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione > (5E)-5-[(3-bromophenyl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione > (5E)-5-(3-bromobenzylidene)-1-(o-tolyl)barbituric acid > InChI=1S/C18H13BrN2O3/c1-11-5-2-3-8-15(11)21-17(23)14(16(22)20-18(21)24)10-12-6-4-7-13(19)9-12/h2-10H,1H3,(H,20,22,24)/b14-10+ > QRJXMDSKAIJQNF-GXDHUFHOSA-N > 3.8 > 384.01095 > C18H13BrN2O3 > 385.2 > CC1=CC=CC=C1N2C(=O)C(=CC3=CC(=CC=C3)Br)C(=O)NC2=O > CC1=CC=CC=C1N2C(=O)/C(=C/C3=CC(=CC=C3)Br)/C(=O)NC2=O > 66.5 > 384.01095 > 0 > 24 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 12 18 8 15 19 8 17 20 8 17 21 8 18 19 8 20 22 8 21 23 8 22 24 8 23 24 8 7 12 8 7 8 8 8 15 8 $$$$