53316178 -OEChem-04182419352D 65 69 0 1 0 0 0 0 0999 V2000 9.2942 0.3840 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 2.1160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4725 -1.4453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4725 -3.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0561 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5170 -2.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5170 -1.8353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 29 1 0 0 0 0 3 29 1 0 0 0 0 4 30 1 0 0 0 0 5 21 1 0 0 0 0 5 40 1 0 0 0 0 6 21 2 0 0 0 0 7 34 1 0 0 0 0 7 39 1 0 0 0 0 8 37 1 0 0 0 0 8 39 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 11 44 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 21 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 18 22 1 0 0 0 0 18 26 2 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 23 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 22 27 2 0 0 0 0 22 29 1 0 0 0 0 23 28 2 0 0 0 0 23 33 1 0 0 0 0 24 30 1 0 0 0 0 24 50 1 0 0 0 0 25 31 2 0 0 0 0 25 51 1 0 0 0 0 26 32 1 0 0 0 0 26 52 1 0 0 0 0 27 35 1 0 0 0 0 27 53 1 0 0 0 0 28 34 1 0 0 0 0 28 54 1 0 0 0 0 30 36 2 0 0 0 0 31 36 1 0 0 0 0 31 55 1 0 0 0 0 32 35 2 0 0 0 0 32 56 1 0 0 0 0 33 38 2 0 0 0 0 33 57 1 0 0 0 0 34 37 2 0 0 0 0 35 58 1 0 0 0 0 36 59 1 0 0 0 0 37 38 1 0 0 0 0 38 60 1 0 0 0 0 39 61 1 0 0 0 0 39 62 1 0 0 0 0 40 63 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 M END > 53316178 > 1 > 973 > 9 > 1 > 8 > AAADceB7OcAAAAAAAAAAAAAAAAAAASAAAAAwYMEAAAAAAEgBUAAAHwAQAAAADCzBmB8zDoPABACoAiTSbACCCAEgIAAJiIEOjMidJjqEuRukMCpuwBOOqUe42LKOoAABAAAQQABAAAIAACCAAAAAAAAAAA== > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-(3-fluorophenyl)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 2-(1,3-benzodioxol-5-ylmethylamino)-4-(3-fluorophenyl)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylic acid methyl ester > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-(3-fluorophenyl)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-(3-fluorophenyl)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-(3-fluorophenyl)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 4-(3-fluorophenyl)-6-methyl-2-(piperonylamino)-1-[2-(trifluoromethyl)benzyl]-4H-pyrimidine-5-carboxylic acid methyl ester > InChI=1S/C29H25F4N3O4/c1-17-25(27(37)38-2)26(19-7-5-8-21(30)13-19)35-28(34-14-18-10-11-23-24(12-18)40-16-39-23)36(17)15-20-6-3-4-9-22(20)29(31,32)33/h3-13,26H,14-16H2,1-2H3,(H,34,35) > LIVRILFSCBVYNA-UHFFFAOYSA-N > 5.1 > 555.17811894 > C29H25F4N3O4 > 555.5 > CC1=C(C(N=C(N1CC2=CC=CC=C2C(F)(F)F)NCC3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)F)C(=O)OC > CC1=C(C(N=C(N1CC2=CC=CC=C2C(F)(F)F)NCC3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)F)C(=O)OC > 72.4 > 555.17811894 > 0 > 40 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 17 3 17 24 8 17 25 8 18 22 8 18 26 8 22 27 8 23 28 8 23 33 8 24 30 8 25 31 8 26 32 8 27 35 8 28 34 8 30 36 8 31 36 8 32 35 8 33 38 8 34 37 8 37 38 8 $$$$