24891886 -OEChem-05072411482D 78 82 0 1 0 0 0 0 0999 V2000 9.5934 6.6862 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.2274 5.3201 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.5934 4.9541 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8255 5.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9595 7.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7494 5.6196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7263 3.6198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6671 7.1334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7610 8.6889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8777 5.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6096 5.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8661 4.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 4.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7610 6.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8671 8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7148 2.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6671 8.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 2.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5749 2.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8314 1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5634 1.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6916 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 11.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 11.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 11.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0934 5.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9595 6.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6724 5.7147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2659 5.0291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2189 4.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8284 5.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2568 4.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6474 3.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8034 3.5247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2098 4.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 8.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 8.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 5.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 5.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2028 8.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3097 2.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1154 2.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 3.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 9.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 9.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2909 0.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0967 0.7937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6845 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 11.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 11.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 12.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 4.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 3.1173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3624 6.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 44 1 0 0 0 0 2 44 1 0 0 0 0 3 44 1 0 0 0 0 4 21 2 0 0 0 0 5 45 1 0 0 0 0 5 78 1 0 0 0 0 6 45 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 23 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 55 1 0 0 0 0 11 17 2 0 0 0 0 11 27 1 0 0 0 0 12 20 1 0 0 0 0 12 27 2 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 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 22 1 0 0 0 0 19 54 1 0 0 0 0 22 25 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 26 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 32 2 0 0 0 0 25 33 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 60 1 0 0 0 0 28 34 1 0 0 0 0 28 61 1 0 0 0 0 29 35 2 0 0 0 0 29 62 1 0 0 0 0 30 37 1 0 0 0 0 30 63 1 0 0 0 0 31 38 2 0 0 0 0 31 64 1 0 0 0 0 32 40 1 0 0 0 0 32 65 1 0 0 0 0 33 41 2 0 0 0 0 33 66 1 0 0 0 0 34 36 2 0 0 0 0 34 67 1 0 0 0 0 35 36 1 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 37 39 2 0 0 0 0 37 70 1 0 0 0 0 38 39 1 0 0 0 0 38 71 1 0 0 0 0 39 43 1 0 0 0 0 40 42 2 0 0 0 0 40 72 1 0 0 0 0 41 42 1 0 0 0 0 41 73 1 0 0 0 0 42 74 1 0 0 0 0 43 75 1 0 0 0 0 43 76 1 0 0 0 0 43 77 1 0 0 0 0 44 45 1 0 0 0 0 M END > 24891886 > 1 > 835 > 11 > 2 > 6 > AAADcfB/sYAAAAAAAAAAAAAAAAAAAAAAAAA8ePECAAAAAACx1AAAHwAQCAAADCjBmhQ3+JfIEgCoAifzfACCgCkxEqAJ2KGodJiIaDLA2fGUJAholgLIyCcYiICOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 7-benzyl-4-(4-phenylpiperazin-1-yl)-5-(p-tolylmethyl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 5-[(4-methylphenyl)methyl]-7-(phenylmethyl)-4-(4-phenyl-1-piperazinyl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 7-benzyl-5-[(4-methylphenyl)methyl]-4-(4-phenylpiperazin-1-yl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 7-benzyl-5-[(4-methylphenyl)methyl]-4-(4-phenylpiperazin-1-yl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 5-[(4-methylphenyl)methyl]-7-(phenylmethyl)-4-(4-phenylpiperazin-1-yl)-7,8-dihydropteridin-6-one;2,2,2-tris(fluoranyl)ethanoic acid > 7-benzyl-5-(4-methylbenzyl)-4-(4-phenylpiperazino)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > InChI=1S/C31H32N6O.C2HF3O2/c1-23-12-14-25(15-13-23)21-37-28-29(34-27(31(37)38)20-24-8-4-2-5-9-24)32-22-33-30(28)36-18-16-35(17-19-36)26-10-6-3-7-11-26;3-2(4,5)1(6)7/h2-15,22,27H,16-21H2,1H3,(H,32,33,34);(H,6,7) > FKQUVGQYHLIDAX-UHFFFAOYSA-N > 618.25662342 > C33H33F3N6O3 > 618.6 > CC1=CC=C(C=C1)CN2C(=O)C(NC3=C2C(=NC=N3)N4CCN(CC4)C5=CC=CC=C5)CC6=CC=CC=C6.C(=O)(C(F)(F)F)O > CC1=CC=C(C=C1)CN2C(=O)C(NC3=C2C(=NC=N3)N4CCN(CC4)C5=CC=CC=C5)CC6=CC=CC=C6.C(=O)(C(F)(F)F)O > 102 > 618.25662342 > 0 > 45 > 0 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 11 17 8 11 27 8 12 20 8 12 27 8 17 18 8 18 20 8 19 22 3 23 28 8 23 29 8 25 32 8 25 33 8 26 30 8 26 31 8 28 34 8 29 35 8 30 37 8 31 38 8 32 40 8 33 41 8 34 36 8 35 36 8 37 39 8 38 39 8 40 42 8 41 42 8 $$$$