53315982 -OEChem-05042417322D 62 65 0 1 0 0 0 0 0999 V2000 8.0622 4.4330 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -4.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -2.7010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4330 0.0000 C 0 0 3 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 5.4641 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0670 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 6.3301 2.4330 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 4.5981 -0.5670 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 8.9282 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.9330 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 -1.5670 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 9.7942 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.9330 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 3.7320 -2.0670 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 3.7320 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0670 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 2.8660 1.4330 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 11.5263 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -2.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -1.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 4.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -1.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 1.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 33 1 0 0 0 0 3 33 1 0 0 0 0 4 33 1 0 0 0 0 5 18 1 0 0 0 0 5 34 1 0 0 0 0 6 18 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 13 1 0 0 0 0 9 19 1 0 0 0 0 9 44 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 19 24 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 25 1 0 0 0 0 20 47 1 0 0 0 0 21 26 2 0 0 0 0 21 48 1 0 0 0 0 22 27 1 0 0 0 0 22 49 1 0 0 0 0 23 28 2 0 0 0 0 23 50 1 0 0 0 0 24 31 2 0 0 0 0 24 32 1 0 0 0 0 25 30 2 0 0 0 0 26 30 1 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 33 1 0 0 0 0 30 54 1 0 0 0 0 31 35 1 0 0 0 0 31 55 1 0 0 0 0 32 36 2 0 0 0 0 32 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 35 37 2 0 0 0 0 35 60 1 0 0 0 0 36 37 1 0 0 0 0 36 61 1 0 0 0 0 37 62 1 0 0 0 0 M END > 53315982 > 1 > 848 > 6 > 1 > 8 > AAADceB7MYAEAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAAABUAAAHwIQAAAADCrBmDYzCIPABACoAiTSbACCAAEgBQAJiIEIBsiIJDqBuxGEMAhugAKIqUeYyKCOQAAAIAAAAACAAABAAAAAAAAAAAAAAA== > methyl 2-(benzylamino)-4-(3-chlorophenyl)-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 4-(3-chlorophenyl)-6-methyl-2-[(phenylmethyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylic acid methyl ester > methyl 2-(benzylamino)-4-(3-chlorophenyl)-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 2-(benzylamino)-4-(3-chlorophenyl)-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 4-(3-chlorophenyl)-6-methyl-2-[(phenylmethyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 2-(benzylamino)-4-(3-chlorophenyl)-6-methyl-1-[4-(trifluoromethyl)benzyl]-4H-pyrimidine-5-carboxylic acid methyl ester > InChI=1S/C28H25ClF3N3O2/c1-18-24(26(36)37-2)25(21-9-6-10-23(29)15-21)34-27(33-16-19-7-4-3-5-8-19)35(18)17-20-11-13-22(14-12-20)28(30,31)32/h3-15,25H,16-17H2,1-2H3,(H,33,34) > MSYZRYFFLKTVNU-UHFFFAOYSA-N > 5.8 > 527.1587392 > C28H25ClF3N3O2 > 528.0 > CC1=C(C(N=C(N1CC2=CC=C(C=C2)C(F)(F)F)NCC3=CC=CC=C3)C4=CC(=CC=C4)Cl)C(=O)OC > CC1=C(C(N=C(N1CC2=CC=C(C=C2)C(F)(F)F)NCC3=CC=CC=C3)C4=CC(=CC=C4)Cl)C(=O)OC > 53.9 > 527.1587392 > 0 > 37 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 15 3 15 20 8 15 21 8 16 22 8 16 23 8 20 25 8 21 26 8 22 27 8 23 28 8 24 31 8 24 32 8 25 30 8 26 30 8 27 29 8 28 29 8 31 35 8 32 36 8 35 37 8 36 37 8 $$$$