51358926 -OEChem-04192414092D 68 71 0 1 0 0 0 0 0999 V2000 8.7288 5.6861 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3628 4.3201 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7288 3.9541 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9609 4.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0949 6.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8834 5.6196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8603 3.6198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 7.1334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 8.6889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0117 5.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7436 5.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0001 4.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 4.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 6.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0010 8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8487 2.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 2.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7089 2.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 8.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9654 1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 1.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8256 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2288 4.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0949 5.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8064 5.7147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3999 5.0291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3529 4.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9624 5.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3908 4.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7813 3.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9373 3.5247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3438 4.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 8.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 8.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 5.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 5.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 9.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 9.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4437 2.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2494 2.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3368 8.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4249 0.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2307 0.7937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8184 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4978 5.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 38 1 0 0 0 0 3 38 1 0 0 0 0 4 21 2 0 0 0 0 5 39 1 0 0 0 0 5 68 1 0 0 0 0 6 39 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 22 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 0 0 0 0 9 24 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 49 1 0 0 0 0 11 17 2 0 0 0 0 11 29 1 0 0 0 0 12 20 1 0 0 0 0 12 29 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 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 19 48 1 0 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 23 26 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 32 2 0 0 0 0 25 33 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 30 1 0 0 0 0 27 57 1 0 0 0 0 28 31 2 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 30 34 2 0 0 0 0 30 60 1 0 0 0 0 31 34 1 0 0 0 0 31 61 1 0 0 0 0 32 35 1 0 0 0 0 32 62 1 0 0 0 0 33 36 2 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 35 37 2 0 0 0 0 35 65 1 0 0 0 0 36 37 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 38 39 1 0 0 0 0 M END > 51358926 > 1 > 695 > 11 > 2 > 5 > AAADceB7sYAAAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAACx0AAAHwAQCAAADCjBmhQ3+JfIEgCoAifzfACCgCkxEqAJ2KGodJiIaDLA2fGUJAholgLIyCcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 5-benzyl-7-ethyl-4-(4-phenylpiperazin-1-yl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 7-ethyl-5-(phenylmethyl)-4-(4-phenyl-1-piperazinyl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 5-benzyl-7-ethyl-4-(4-phenylpiperazin-1-yl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 5-benzyl-7-ethyl-4-(4-phenylpiperazin-1-yl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 7-ethyl-5-(phenylmethyl)-4-(4-phenylpiperazin-1-yl)-7,8-dihydropteridin-6-one;2,2,2-tris(fluoranyl)ethanoic acid > 5-benzyl-7-ethyl-4-(4-phenylpiperazino)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > InChI=1S/C25H28N6O.C2HF3O2/c1-2-21-25(32)31(17-19-9-5-3-6-10-19)22-23(28-21)26-18-27-24(22)30-15-13-29(14-16-30)20-11-7-4-8-12-20;3-2(4,5)1(6)7/h3-12,18,21H,2,13-17H2,1H3,(H,26,27,28);(H,6,7) > MBUVYUNRAIEKRR-UHFFFAOYSA-N > 542.22532329 > C27H29F3N6O3 > 542.6 > CCC1C(=O)N(C2=C(N1)N=CN=C2N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5.C(=O)(C(F)(F)F)O > CCC1C(=O)N(C2=C(N1)N=CN=C2N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5.C(=O)(C(F)(F)F)O > 102 > 542.22532329 > 0 > 39 > 0 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 11 17 8 11 29 8 12 20 8 12 29 8 17 18 8 18 20 8 19 23 3 22 27 8 22 28 8 25 32 8 25 33 8 27 30 8 28 31 8 30 34 8 31 34 8 32 35 8 33 36 8 35 37 8 36 37 8 $$$$