53316285 -OEChem-04262418432D 68 71 0 1 0 0 0 0 0999 V2000 8.9282 4.0670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 4.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 2.7010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -3.2990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.5670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.8923 -2.0670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.8923 -3.7990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9330 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 6.3301 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9330 0.0000 C 0 0 0 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 7.1962 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.9330 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 7.1962 3.0670 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 5.4641 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -3.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -2.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -1.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 1.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 0.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 35 1 0 0 0 0 3 35 1 0 0 0 0 4 39 1 0 0 0 0 5 39 1 0 0 0 0 6 39 1 0 0 0 0 7 44 1 0 0 0 0 8 44 1 0 0 0 0 9 44 1 0 0 0 0 10 23 1 0 0 0 0 10 43 1 0 0 0 0 11 23 2 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 14 18 1 0 0 0 0 14 25 1 0 0 0 0 14 51 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 23 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 24 2 0 0 0 0 20 26 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 28 2 0 0 0 0 22 29 1 0 0 0 0 24 27 1 0 0 0 0 24 52 1 0 0 0 0 25 30 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 31 2 0 0 0 0 26 55 1 0 0 0 0 27 32 2 0 0 0 0 27 35 1 0 0 0 0 28 33 1 0 0 0 0 28 56 1 0 0 0 0 29 34 2 0 0 0 0 29 57 1 0 0 0 0 30 37 2 0 0 0 0 30 38 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 33 36 2 0 0 0 0 33 39 1 0 0 0 0 34 36 1 0 0 0 0 34 60 1 0 0 0 0 36 61 1 0 0 0 0 37 40 1 0 0 0 0 37 62 1 0 0 0 0 38 41 2 0 0 0 0 38 63 1 0 0 0 0 40 42 2 0 0 0 0 40 64 1 0 0 0 0 41 42 1 0 0 0 0 41 65 1 0 0 0 0 42 44 1 0 0 0 0 43 66 1 0 0 0 0 43 67 1 0 0 0 0 43 68 1 0 0 0 0 M END > 53316285 > 1 > 1060 > 12 > 1 > 8 > AAADceB7McAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAAABUAAAHwAQAAAADCjBmBYzCIPABACoAiTSbACCAAEgAAAJiIEIBMiIJDqAuRGEMAhugAKIqUeYyOCOQAACAAAAAACAAAQAAAAAAAAAAAAAAA== > methyl 6-methyl-4-[3-(trifluoromethyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]-2-[[4-(trifluoromethyl)phenyl]methylamino]-4H-pyrimidine-5-carboxylate > 6-methyl-4-[3-(trifluoromethyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]-2-[[4-(trifluoromethyl)phenyl]methylamino]-4H-pyrimidine-5-carboxylic acid methyl ester > methyl 6-methyl-4-[3-(trifluoromethyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]-2-[[4-(trifluoromethyl)phenyl]methylamino]-4H-pyrimidine-5-carboxylate > methyl 6-methyl-4-[3-(trifluoromethyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]-2-[[4-(trifluoromethyl)phenyl]methylamino]-4H-pyrimidine-5-carboxylate > methyl 6-methyl-4-[3-(trifluoromethyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]-2-[[4-(trifluoromethyl)phenyl]methylamino]-4H-pyrimidine-5-carboxylate > 6-methyl-1-[3-(trifluoromethyl)benzyl]-2-[[4-(trifluoromethyl)benzyl]amino]-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester > InChI=1S/C30H24F9N3O2/c1-17-24(26(43)44-2)25(20-6-4-8-23(14-20)30(37,38)39)41-27(40-15-18-9-11-21(12-10-18)28(31,32)33)42(17)16-19-5-3-7-22(13-19)29(34,35)36/h3-14,25H,15-16H2,1-2H3,(H,40,41) > LJGLUSWEQMMNCV-UHFFFAOYSA-N > 6.9 > 629.17248048 > C30H24F9N3O2 > 629.5 > CC1=C(C(N=C(N1CC2=CC(=CC=C2)C(F)(F)F)NCC3=CC=C(C=C3)C(F)(F)F)C4=CC(=CC=C4)C(F)(F)F)C(=O)OC > CC1=C(C(N=C(N1CC2=CC(=CC=C2)C(F)(F)F)NCC3=CC=C(C=C3)C(F)(F)F)C4=CC(=CC=C4)C(F)(F)F)C(=O)OC > 53.9 > 629.17248048 > 0 > 44 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 20 3 20 24 8 20 26 8 22 28 8 22 29 8 24 27 8 26 31 8 27 32 8 28 33 8 29 34 8 30 37 8 30 38 8 31 32 8 33 36 8 34 36 8 37 40 8 38 41 8 40 42 8 41 42 8 $$$$