51358932 -OEChem-05062404242D 75 79 0 1 0 0 0 0 0999 V2000 5.1435 3.6542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3201 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 6.6862 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 4.9541 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8756 6.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3560 5.6196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3329 3.6198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6076 6.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6076 8.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2736 7.1334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3676 8.6889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4843 5.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2162 5.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4727 4.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2046 4.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3676 6.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4736 7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7416 8.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4736 8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7416 7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8756 8.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3213 2.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6076 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8756 9.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7416 5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2736 8.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4496 2.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1815 2.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0095 10.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7416 10.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4380 1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1699 1.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7416 4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8756 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2982 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0095 11.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7416 11.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8756 3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0095 5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8756 11.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0095 4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2790 5.7147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8725 5.0291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8255 4.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4350 5.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8634 4.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2539 3.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4099 3.5247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8164 4.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7416 8.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6076 9.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2650 8.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6635 8.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8197 5.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2182 5.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8094 8.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9163 2.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7220 2.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4726 9.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2785 9.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8975 0.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7033 0.7937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2785 3.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8756 6.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2910 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4726 11.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2785 11.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8756 3.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4726 5.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8756 12.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 43 1 0 0 0 0 2 44 1 0 0 0 0 3 44 1 0 0 0 0 4 44 1 0 0 0 0 5 22 2 0 0 0 0 6 45 1 0 0 0 0 6 75 1 0 0 0 0 7 45 2 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 24 1 0 0 0 0 10 19 1 0 0 0 0 10 22 1 0 0 0 0 10 25 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 55 1 0 0 0 0 12 18 2 0 0 0 0 12 28 1 0 0 0 0 13 21 1 0 0 0 0 13 28 2 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 17 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 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 54 1 0 0 0 0 23 26 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 27 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 31 2 0 0 0 0 26 32 1 0 0 0 0 27 35 2 0 0 0 0 27 36 1 0 0 0 0 28 60 1 0 0 0 0 29 33 1 0 0 0 0 29 61 1 0 0 0 0 30 34 2 0 0 0 0 30 62 1 0 0 0 0 31 38 1 0 0 0 0 31 63 1 0 0 0 0 32 39 2 0 0 0 0 32 64 1 0 0 0 0 33 37 2 0 0 0 0 33 65 1 0 0 0 0 34 37 1 0 0 0 0 34 66 1 0 0 0 0 35 40 1 0 0 0 0 35 67 1 0 0 0 0 36 41 2 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 38 42 2 0 0 0 0 38 70 1 0 0 0 0 39 42 1 0 0 0 0 39 71 1 0 0 0 0 40 43 2 0 0 0 0 40 72 1 0 0 0 0 41 43 1 0 0 0 0 41 73 1 0 0 0 0 42 74 1 0 0 0 0 44 45 1 0 0 0 0 M END > 51358932 > 1 > 841 > 11 > 2 > 6 > AAADceB/sYAAEAAAAAAAAAAAAAAAAAAAAAA8ePECAAAAAACx1AAAHwBQCAABrCjBmhQ1+JfIEgCoAifzfACCgCkxEqQJ2KGodLiIaDLA2fGUJAholgLIyjcYiICOAgAAAAAAAAAEAAAAAAAAAAAAAAAAAA== > 7-benzyl-5-[(4-bromophenyl)methyl]-4-(4-phenylpiperazin-1-yl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 5-[(4-bromophenyl)methyl]-7-(phenylmethyl)-4-(4-phenyl-1-piperazinyl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 7-benzyl-5-[(4-bromophenyl)methyl]-4-(4-phenylpiperazin-1-yl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 7-benzyl-5-[(4-bromophenyl)methyl]-4-(4-phenylpiperazin-1-yl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 5-[(4-bromophenyl)methyl]-7-(phenylmethyl)-4-(4-phenylpiperazin-1-yl)-7,8-dihydropteridin-6-one;2,2,2-tris(fluoranyl)ethanoic acid > 7-benzyl-5-(4-bromobenzyl)-4-(4-phenylpiperazino)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > InChI=1S/C30H29BrN6O.C2HF3O2/c31-24-13-11-23(12-14-24)20-37-27-28(34-26(30(37)38)19-22-7-3-1-4-8-22)32-21-33-29(27)36-17-15-35(16-18-36)25-9-5-2-6-10-25;3-2(4,5)1(6)7/h1-14,21,26H,15-20H2,(H,32,33,34);(H,6,7) > VPKDJPDXCGSRNJ-UHFFFAOYSA-N > 682.15149 > C32H30BrF3N6O3 > 683.5 > C1CN(CCN1C2=CC=CC=C2)C3=NC=NC4=C3N(C(=O)C(N4)CC5=CC=CC=C5)CC6=CC=C(C=C6)Br.C(=O)(C(F)(F)F)O > C1CN(CCN1C2=CC=CC=C2)C3=NC=NC4=C3N(C(=O)C(N4)CC5=CC=CC=C5)CC6=CC=C(C=C6)Br.C(=O)(C(F)(F)F)O > 102 > 682.15149 > 0 > 45 > 0 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 12 18 8 12 28 8 13 21 8 13 28 8 18 19 8 19 21 8 20 23 3 24 29 8 24 30 8 26 31 8 26 32 8 27 35 8 27 36 8 29 33 8 30 34 8 31 38 8 32 39 8 33 37 8 34 37 8 35 40 8 36 41 8 38 42 8 39 42 8 40 43 8 41 43 8 $$$$