24891884 -OEChem-04252421282D 67 70 0 1 0 0 0 0 0999 V2000 9.5949 5.1861 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.2288 3.8201 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.5949 3.4541 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 11.8269 4.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9609 5.8201 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 6.5749 2.1098 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 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 8.6542 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 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 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 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 5.6916 0.6200 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 0.5369 3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0949 4.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9609 4.8201 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 4.2131 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 4.0010 9.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 9.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 8.9642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 8.1173 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 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 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 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 5.6845 0.0000 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 12.3638 4.6301 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 22 2 0 0 0 0 5 39 1 0 0 0 0 5 67 1 0 0 0 0 6 39 2 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 23 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 23 1 0 0 0 0 13 32 2 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 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 25 1 0 0 0 0 20 48 1 0 0 0 0 23 28 2 0 0 0 0 24 26 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 55 1 0 0 0 0 28 31 1 0 0 0 0 28 56 1 0 0 0 0 29 33 1 0 0 0 0 29 57 1 0 0 0 0 30 34 2 0 0 0 0 30 58 1 0 0 0 0 31 35 2 0 0 0 0 31 59 1 0 0 0 0 32 35 1 0 0 0 0 32 60 1 0 0 0 0 33 36 2 0 0 0 0 33 61 1 0 0 0 0 34 36 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 36 37 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 38 39 1 0 0 0 0 M END > 24891884 > 1 > 715 > 12 > 2 > 4 > AAADceB7sYAAAAAAAAAAAAAAAAAAAAAAAAA8WLFiAAAAAACx8AAAHwAQCAAADCjBmhQ/+JfIEgCoAjf3fACCgCkxEqAJ2KG4dJiIaOLA2fGUJAholgLIyCcQgAAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 7-methyl-5-(p-tolylmethyl)-4-[4-(2-pyridyl)piperazin-1-yl]-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 7-methyl-5-[(4-methylphenyl)methyl]-4-[4-(2-pyridinyl)-1-piperazinyl]-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 7-methyl-5-[(4-methylphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 7-methyl-5-[(4-methylphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 7-methyl-5-[(4-methylphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydropteridin-6-one;2,2,2-tris(fluoranyl)ethanoic acid > 7-methyl-5-(4-methylbenzyl)-4-[4-(2-pyridyl)piperazino]-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > InChI=1S/C24H27N7O.C2HF3O2/c1-17-6-8-19(9-7-17)15-31-21-22(28-18(2)24(31)32)26-16-27-23(21)30-13-11-29(12-14-30)20-5-3-4-10-25-20;3-2(4,5)1(6)7/h3-10,16,18H,11-15H2,1-2H3,(H,26,27,28);(H,6,7) > CLQSRYOVJFDYMO-UHFFFAOYSA-N > 543.22057227 > C26H28F3N7O3 > 543.5 > CC1C(=O)N(C2=C(N1)N=CN=C2N3CCN(CC3)C4=CC=CC=N4)CC5=CC=C(C=C5)C.C(=O)(C(F)(F)F)O > CC1C(=O)N(C2=C(N1)N=CN=C2N3CCN(CC3)C4=CC=CC=N4)CC5=CC=C(C=C5)C.C(=O)(C(F)(F)F)O > 115 > 543.22057227 > 0 > 39 > 0 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 11 18 8 11 27 8 12 21 8 12 27 8 13 23 8 13 32 8 18 19 8 19 21 8 20 25 3 23 28 8 26 29 8 26 30 8 28 31 8 29 33 8 30 34 8 31 35 8 32 35 8 33 36 8 34 36 8 $$$$