53316205 -OEChem-04242418312D 65 69 0 1 0 0 0 0 0999 V2000 4.9641 -4.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.5670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -3.2010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -0.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -2.3717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -0.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -1.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6510 -1.9817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6510 -1.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.3961 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 37 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 36 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 37 2 0 0 0 0 30 55 1 0 0 0 0 31 37 1 0 0 0 0 31 56 1 0 0 0 0 32 35 2 0 0 0 0 32 57 1 0 0 0 0 33 38 2 0 0 0 0 33 58 1 0 0 0 0 34 36 2 0 0 0 0 35 59 1 0 0 0 0 36 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 > 53316205 > 1 > 965 > 9 > 1 > 8 > AAADceB7OcAAAAAAAAAAAAAAAAAAASAAAAAwYMEAAAAAAEgBUAAAHwAQAAAADCzBmB8zDoPABACoAiTSbACCCAEgIAAJiIEOjMidJjqEuRukMCpuwBOOqUe42LKOoAABAAAQQABAAAIAACCAAAAAAAAAAA== > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-fluorophenyl)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-fluorophenyl)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylic acid methyl ester > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-fluorophenyl)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-fluorophenyl)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-fluorophenyl)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 4-(4-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(19-8-10-21(30)11-9-19)35-28(34-14-18-7-12-23-24(13-18)40-16-39-23)36(17)15-20-5-3-4-6-22(20)29(31,32)33/h3-13,26H,14-16H2,1-2H3,(H,34,35) > RTDOQAKFDUAAOP-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=C(C=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=C(C=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 37 8 31 37 8 32 35 8 33 38 8 34 36 8 36 38 8 $$$$