53316051 -OEChem-04262406452D 65 69 0 1 0 0 0 0 0999 V2000 5.4641 5.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -4.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -4.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -0.1953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -1.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6510 -1.4147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6510 -0.5853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 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 33 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 28 2 0 0 0 0 22 31 1 0 0 0 0 23 29 1 0 0 0 0 23 50 1 0 0 0 0 24 30 2 0 0 0 0 24 51 1 0 0 0 0 25 27 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 2 0 0 0 0 27 38 1 0 0 0 0 28 33 1 0 0 0 0 28 54 1 0 0 0 0 29 36 2 0 0 0 0 29 55 1 0 0 0 0 30 36 1 0 0 0 0 30 56 1 0 0 0 0 31 37 2 0 0 0 0 31 57 1 0 0 0 0 32 34 1 0 0 0 0 32 58 1 0 0 0 0 33 35 2 0 0 0 0 34 59 1 0 0 0 0 35 37 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 > 53316051 > 1 > 965 > 9 > 1 > 8 > AAADceB7OcAAAAAAAAAAAAAAAAAAASAAAAAwYMEAAAAAAEgBUAAAHwAQAAAADCzBmB8zDoPABACoAiTSbACCCAEgIAAJiIEOjMidJjqEuRukMCpuwBOOqUe42PKOIAADAAAAQABAAAYAAACAAAAAAAAAAA== > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-fluorophenyl)-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-fluorophenyl)-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylic acid methyl ester > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-fluorophenyl)-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-fluorophenyl)-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 2-(1,3-benzodioxol-5-ylmethylamino)-4-(4-fluorophenyl)-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 4-(4-fluorophenyl)-6-methyl-2-(piperonylamino)-1-[3-(trifluoromethyl)benzyl]-4H-pyrimidine-5-carboxylic acid methyl ester > InChI=1S/C29H25F4N3O4/c1-17-25(27(37)38-2)26(20-7-9-22(30)10-8-20)35-28(34-14-18-6-11-23-24(13-18)40-16-39-23)36(17)15-19-4-3-5-21(12-19)29(31,32)33/h3-13,26H,14-16H2,1-2H3,(H,34,35) > LGKYJECCBHCOIR-UHFFFAOYSA-N > 5.1 > 555.17811894 > C29H25F4N3O4 > 555.5 > CC1=C(C(N=C(N1CC2=CC(=CC=C2)C(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=C2)C(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 23 8 17 24 8 18 25 8 18 26 8 22 28 8 22 31 8 23 29 8 24 30 8 25 27 8 26 32 8 27 34 8 28 33 8 29 36 8 30 36 8 31 37 8 32 34 8 33 35 8 35 37 8 $$$$