53316302 -OEChem-05142411282D 71 75 0 1 0 0 0 0 0999 V2000 2.0000 -4.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -4.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8744 -0.4453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8744 -2.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7320 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8101 2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2087 2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7287 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9316 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9189 -1.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9189 -0.8353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 39 1 0 0 0 0 3 39 1 0 0 0 0 4 20 1 0 0 0 0 4 40 1 0 0 0 0 5 20 2 0 0 0 0 6 33 1 0 0 0 0 6 41 1 0 0 0 0 7 36 1 0 0 0 0 7 41 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 15 1 0 0 0 0 10 22 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 42 1 0 0 0 0 12 16 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 18 1 0 0 0 0 16 21 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 28 1 0 0 0 0 24 55 1 0 0 0 0 25 31 2 0 0 0 0 25 56 1 0 0 0 0 26 34 1 0 0 0 0 26 57 1 0 0 0 0 27 35 2 0 0 0 0 27 58 1 0 0 0 0 28 32 2 0 0 0 0 28 39 1 0 0 0 0 29 33 1 0 0 0 0 29 59 1 0 0 0 0 30 37 2 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 33 36 2 0 0 0 0 34 38 2 0 0 0 0 34 63 1 0 0 0 0 35 38 1 0 0 0 0 35 64 1 0 0 0 0 36 37 1 0 0 0 0 37 65 1 0 0 0 0 38 66 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 M END > 53316302 > 1 > 965 > 8 > 1 > 10 > AAADceB7OYAAAAAAAAAAAAAAAAAAASAAAAAwYMEAAAAAAEgBUAAAHwAQAAAADCzBmBczDoPABACoAiTSbACCCAEgIAAJiIEOjMidJjqEuRukMCpuwBOOqUe42PKOIAADAAAAQABAAAYAAACAAAAAAAAAAA== > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-(2-phenylethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-(2-phenylethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylic acid methyl ester > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-(2-phenylethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-(2-phenylethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-(2-phenylethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 6-methyl-4-phenethyl-2-(piperonylamino)-1-[3-(trifluoromethyl)benzyl]-4H-pyrimidine-5-carboxylic acid methyl ester > InChI=1S/C31H30F3N3O4/c1-20-28(29(38)39-2)25(13-11-21-7-4-3-5-8-21)36-30(35-17-22-12-14-26-27(16-22)41-19-40-26)37(20)18-23-9-6-10-24(15-23)31(32,33)34/h3-10,12,14-16,25H,11,13,17-19H2,1-2H3,(H,35,36) > OXHSDKVPVMZMSB-UHFFFAOYSA-N > 5.6 > 565.21884093 > C31H30F3N3O4 > 565.6 > CC1=C(C(N=C(N1CC2=CC(=CC=C2)C(F)(F)F)NCC3=CC4=C(C=C3)OCO4)CCC5=CC=CC=C5)C(=O)OC > CC1=C(C(N=C(N1CC2=CC(=CC=C2)C(F)(F)F)NCC3=CC4=C(C=C3)OCO4)CCC5=CC=CC=C5)C(=O)OC > 72.4 > 565.21884093 > 0 > 41 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 12 3 19 24 8 19 25 8 21 26 8 21 27 8 23 29 8 23 30 8 24 28 8 25 31 8 26 34 8 27 35 8 28 32 8 29 33 8 30 37 8 31 32 8 33 36 8 34 38 8 35 38 8 36 37 8 $$$$