53316017 -OEChem-03282410462D 65 69 0 1 0 0 0 0 0999 V2000 2.0000 -2.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4725 -2.4453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4725 -4.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7500 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 8.0622 0.2500 0.0000 C 0 0 0 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 8.9282 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 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 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.2500 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 3.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.7500 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 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.2500 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 11.5263 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.2500 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 13.0561 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5170 -3.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5170 -2.8353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 38 1 0 0 0 0 3 38 1 0 0 0 0 4 38 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 35 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 23 2 0 0 0 0 17 24 1 0 0 0 0 18 25 2 0 0 0 0 18 26 1 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 22 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 30 1 0 0 0 0 23 28 1 0 0 0 0 23 50 1 0 0 0 0 24 29 2 0 0 0 0 24 51 1 0 0 0 0 25 31 1 0 0 0 0 25 52 1 0 0 0 0 26 32 2 0 0 0 0 26 53 1 0 0 0 0 27 34 1 0 0 0 0 27 54 1 0 0 0 0 28 36 2 0 0 0 0 29 36 1 0 0 0 0 29 55 1 0 0 0 0 30 37 2 0 0 0 0 30 56 1 0 0 0 0 31 33 2 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 38 1 0 0 0 0 34 35 2 0 0 0 0 35 37 1 0 0 0 0 36 59 1 0 0 0 0 37 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 > 53316017 > 1 > 969 > 8 > 1 > 8 > AAADceB7OYAEAAAAAAAAAAAAAAAAASAAAAAwYMEAAAAAAEgBUAAAHwIQAAAADC7BmDczDoPABACoAiTSbACCCAEgJQAJiIEOjsidJjqFuxukMCpuwBOOqUe42LKOYAABIAAAQADAAAJAAACAAAAAAAAAAA== > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-(3-chlorophenyl)-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 2-(1,3-benzodioxol-5-ylmethylamino)-4-(3-chlorophenyl)-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylic acid methyl ester > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-(3-chlorophenyl)-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-(3-chlorophenyl)-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-(3-chlorophenyl)-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 4-(3-chlorophenyl)-6-methyl-2-(piperonylamino)-1-[4-(trifluoromethyl)benzyl]-4H-pyrimidine-5-carboxylic acid methyl ester > InChI=1S/C29H25ClF3N3O4/c1-17-25(27(37)38-2)26(20-4-3-5-22(30)13-20)35-28(34-14-19-8-11-23-24(12-19)40-16-39-23)36(17)15-18-6-9-21(10-7-18)29(31,32)33/h3-13,26H,14-16H2,1-2H3,(H,34,35) > BKVHQVINMIMZGP-UHFFFAOYSA-N > 5.6 > 571.1485685 > C29H25ClF3N3O4 > 572.0 > CC1=C(C(N=C(N1CC2=CC=C(C=C2)C(F)(F)F)NCC3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)Cl)C(=O)OC > CC1=C(C(N=C(N1CC2=CC=C(C=C2)C(F)(F)F)NCC3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)Cl)C(=O)OC > 72.4 > 571.1485685 > 0 > 40 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 17 3 17 23 8 17 24 8 18 25 8 18 26 8 22 27 8 22 30 8 23 28 8 24 29 8 25 31 8 26 32 8 27 34 8 28 36 8 29 36 8 30 37 8 31 33 8 32 33 8 34 35 8 35 37 8 $$$$