53316159 -OEChem-05072407412D 65 69 0 1 0 0 0 0 0999 V2000 4.9641 -4.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.0670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -2.7010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -0.2623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -1.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -0.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -1.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -1.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6510 -1.4817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6510 -0.6523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 20 1 0 0 0 0 4 39 1 0 0 0 0 5 20 2 0 0 0 0 6 33 1 0 0 0 0 6 38 1 0 0 0 0 7 35 1 0 0 0 0 7 38 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 10 43 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 20 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 21 1 0 0 0 0 17 25 2 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 22 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 21 26 2 0 0 0 0 21 28 1 0 0 0 0 22 27 2 0 0 0 0 22 32 1 0 0 0 0 23 29 1 0 0 0 0 23 49 1 0 0 0 0 24 30 2 0 0 0 0 24 50 1 0 0 0 0 25 31 1 0 0 0 0 25 51 1 0 0 0 0 26 34 1 0 0 0 0 26 52 1 0 0 0 0 27 33 1 0 0 0 0 27 53 1 0 0 0 0 29 36 2 0 0 0 0 29 56 1 0 0 0 0 30 36 1 0 0 0 0 30 57 1 0 0 0 0 31 34 2 0 0 0 0 31 55 1 0 0 0 0 32 37 2 0 0 0 0 32 54 1 0 0 0 0 33 35 2 0 0 0 0 34 58 1 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 38 61 1 0 0 0 0 38 62 1 0 0 0 0 39 63 1 0 0 0 0 39 64 1 0 0 0 0 39 65 1 0 0 0 0 M END > 53316159 > 1 > 933 > 8 > 1 > 8 > AAADceB7OYAAAAAAAAAAAAAAAAAAASAAAAAwYMEAAAAAAEgBUAAAHwAQAAAADCzBmBczDoPABACoAiTSbACCCAEgIAAJiIEOjMidJjqEuRukMCpuwBOOqUe42LKOoAABAAAQQABAAAIAACCAAAAAAAAAAA== > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylic acid methyl ester > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 6-methyl-4-phenyl-2-(piperonylamino)-1-[2-(trifluoromethyl)benzyl]-4H-pyrimidine-5-carboxylic acid methyl ester > InChI=1S/C29H26F3N3O4/c1-18-25(27(36)37-2)26(20-8-4-3-5-9-20)34-28(33-15-19-12-13-23-24(14-19)39-17-38-23)35(18)16-21-10-6-7-11-22(21)29(30,31)32/h3-14,26H,15-17H2,1-2H3,(H,33,34) > DOLQEXKLZJXWAP-UHFFFAOYSA-N > 5 > 537.18754081 > C29H26F3N3O4 > 537.5 > CC1=C(C(N=C(N1CC2=CC=CC=C2C(F)(F)F)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)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)C(=O)OC > 72.4 > 537.18754081 > 0 > 39 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 16 3 16 23 8 16 24 8 17 21 8 17 25 8 21 26 8 22 27 8 22 32 8 23 29 8 24 30 8 25 31 8 26 34 8 27 33 8 29 36 8 30 36 8 31 34 8 32 37 8 33 35 8 35 37 8 $$$$