53316292 -OEChem-03192410052D 62 65 0 1 0 0 0 0 0999 V2000 6.3301 4.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -3.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.6340 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 3 31 1 0 0 0 0 4 31 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 25 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 26 1 0 0 0 0 20 47 1 0 0 0 0 21 27 2 0 0 0 0 21 48 1 0 0 0 0 22 24 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 29 2 0 0 0 0 24 31 1 0 0 0 0 25 32 2 0 0 0 0 25 33 1 0 0 0 0 26 30 2 0 0 0 0 26 51 1 0 0 0 0 27 30 1 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 54 1 0 0 0 0 32 35 1 0 0 0 0 32 55 1 0 0 0 0 33 36 2 0 0 0 0 33 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 > 53316292 > 1 > 848 > 6 > 1 > 8 > AAADceB7MYAEAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAAABUAAAHwIQAAAADCrBmDYzCIPABACoAiTSbACCAAEgBQAJiIEIBsiIJDqBuxGEMAhugAKIqUeYyOCOBAACAAAAAAAIAAQAAAAAAAAAAAAAAA== > methyl 2-(benzylamino)-4-(4-chlorophenyl)-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 4-(4-chlorophenyl)-6-methyl-2-[(phenylmethyl)amino]-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylic acid methyl ester > methyl 2-(benzylamino)-4-(4-chlorophenyl)-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 2-(benzylamino)-4-(4-chlorophenyl)-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 4-(4-chlorophenyl)-6-methyl-2-[(phenylmethyl)amino]-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 2-(benzylamino)-4-(4-chlorophenyl)-6-methyl-1-[3-(trifluoromethyl)benzyl]-4H-pyrimidine-5-carboxylic acid methyl ester > InChI=1S/C28H25ClF3N3O2/c1-18-24(26(36)37-2)25(21-11-13-23(29)14-12-21)34-27(33-16-19-7-4-3-5-8-19)35(18)17-20-9-6-10-22(15-20)28(30,31)32/h3-15,25H,16-17H2,1-2H3,(H,33,34) > XLKLAZAHFQQTJT-UHFFFAOYSA-N > 5.8 > 527.1587392 > C28H25ClF3N3O2 > 528.0 > CC1=C(C(N=C(N1CC2=CC(=CC=C2)C(F)(F)F)NCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)OC > CC1=C(C(N=C(N1CC2=CC(=CC=C2)C(F)(F)F)NCC3=CC=CC=C3)C4=CC=C(C=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 26 8 21 27 8 22 24 8 23 28 8 24 29 8 25 32 8 25 33 8 26 30 8 27 30 8 28 29 8 32 35 8 33 36 8 35 37 8 36 37 8 $$$$