51358928 -OEChem-04242421012D 66 69 0 1 0 0 0 0 0999 V2000 5.1449 0.6200 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.8030 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 5.1690 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 3.4370 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8770 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3574 2.5854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6090 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6090 5.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2751 4.0992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3690 5.6547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4857 2.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2176 2.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4741 1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2061 1.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3343 0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3690 3.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4750 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7430 5.1200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4750 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7430 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8770 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6090 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8770 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7430 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2751 5.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0110 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7430 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8770 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7430 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0110 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7430 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0110 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8770 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8770 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0110 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2804 2.6805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8739 1.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8269 1.9607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4364 2.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8648 1.2102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2553 0.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4114 0.4905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8178 1.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9303 0.1152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7273 0.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7430 5.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6090 6.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2664 5.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6649 5.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8211 2.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2196 2.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8108 5.4529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4740 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2799 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8770 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2799 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4740 8.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2799 8.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4740 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8770 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8770 9.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 38 1 0 0 0 0 3 38 1 0 0 0 0 4 38 1 0 0 0 0 5 22 2 0 0 0 0 6 39 1 0 0 0 0 6 66 1 0 0 0 0 7 39 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 22 1 0 0 0 0 9 24 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 51 1 0 0 0 0 11 18 2 0 0 0 0 11 27 1 0 0 0 0 12 21 1 0 0 0 0 12 27 2 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 50 1 0 0 0 0 23 25 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 26 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 56 1 0 0 0 0 28 32 1 0 0 0 0 28 57 1 0 0 0 0 29 33 2 0 0 0 0 29 58 1 0 0 0 0 30 34 1 0 0 0 0 30 59 1 0 0 0 0 31 35 2 0 0 0 0 31 60 1 0 0 0 0 32 36 2 0 0 0 0 32 61 1 0 0 0 0 33 36 1 0 0 0 0 33 62 1 0 0 0 0 34 37 2 0 0 0 0 34 63 1 0 0 0 0 35 37 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 38 39 1 0 0 0 0 M END > 51358928 > 1 > 699 > 10 > 2 > 5 > AAADceB7sYAAEAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAACx0AAAHwBQCAABrCjBmhQ1+JfIEgCoAifzfACCgCkxEKQJ2KGoVLiIaDLA2XGUJAholgLIijcYiICOAgAAAAAAAAAEAAAAAAAAAAAAAAAAAA== > 7-benzyl-5-[(4-bromophenyl)methyl]-4-(1-piperidyl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 5-[(4-bromophenyl)methyl]-7-(phenylmethyl)-4-(1-piperidinyl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 7-benzyl-5-[(4-bromophenyl)methyl]-4-piperidin-1-yl-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 7-benzyl-5-[(4-bromophenyl)methyl]-4-piperidin-1-yl-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 5-[(4-bromophenyl)methyl]-7-(phenylmethyl)-4-piperidin-1-yl-7,8-dihydropteridin-6-one;2,2,2-tris(fluoranyl)ethanoic acid > 7-benzyl-5-(4-bromobenzyl)-4-piperidino-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > InChI=1S/C25H26BrN5O.C2HF3O2/c26-20-11-9-19(10-12-20)16-31-22-23(27-17-28-24(22)30-13-5-2-6-14-30)29-21(25(31)32)15-18-7-3-1-4-8-18;3-2(4,5)1(6)7/h1,3-4,7-12,17,21H,2,5-6,13-16H2,(H,27,28,29);(H,6,7) > JCBRBNJMHVAVFG-UHFFFAOYSA-N > 605.12494 > C27H27BrF3N5O3 > 606.4 > C1CCN(CC1)C2=NC=NC3=C2N(C(=O)C(N3)CC4=CC=CC=C4)CC5=CC=C(C=C5)Br.C(=O)(C(F)(F)F)O > C1CCN(CC1)C2=NC=NC3=C2N(C(=O)C(N3)CC4=CC=CC=C4)CC5=CC=C(C=C5)Br.C(=O)(C(F)(F)F)O > 98.7 > 605.12494 > 0 > 39 > 0 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 11 18 8 11 27 8 12 21 8 12 27 8 18 19 8 19 21 8 20 23 3 25 28 8 25 29 8 26 30 8 26 31 8 28 32 8 29 33 8 30 34 8 31 35 8 32 36 8 33 36 8 34 37 8 35 37 8 $$$$