53316300 -OEChem-04242419422D 68 71 0 1 0 0 0 0 0999 V2000 2.3660 -3.6160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.8840 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 34 1 0 0 0 0 3 34 1 0 0 0 0 4 19 1 0 0 0 0 4 35 1 0 0 0 0 5 19 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 13 1 0 0 0 0 8 20 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 39 1 0 0 0 0 10 14 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 16 1 0 0 0 0 14 18 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 20 25 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 26 1 0 0 0 0 21 52 1 0 0 0 0 22 27 2 0 0 0 0 22 53 1 0 0 0 0 23 29 1 0 0 0 0 23 54 1 0 0 0 0 24 30 2 0 0 0 0 24 55 1 0 0 0 0 25 32 2 0 0 0 0 25 33 1 0 0 0 0 26 28 2 0 0 0 0 26 34 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 29 31 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 32 36 1 0 0 0 0 32 61 1 0 0 0 0 33 37 2 0 0 0 0 33 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 36 38 2 0 0 0 0 36 66 1 0 0 0 0 37 38 1 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 M END > 53316300 > 1 > 844 > 6 > 1 > 10 > AAADceB7MYAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAAABUAAAHwAQAAAADCjBmBYzCIPABACoAiTSbACCAAEgAAAJiIEIBMiIJDqAuRGEMAhugAKIqUeYyOCOAAACAAAAAAAAAAQAAAAAAAAAAAAAAA== > methyl 2-(benzylamino)-6-methyl-4-(2-phenylethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 6-methyl-4-(2-phenylethyl)-2-[(phenylmethyl)amino]-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylic acid methyl ester > methyl 2-(benzylamino)-6-methyl-4-(2-phenylethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 2-(benzylamino)-6-methyl-4-(2-phenylethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 6-methyl-4-(2-phenylethyl)-2-[(phenylmethyl)amino]-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 2-(benzylamino)-6-methyl-4-phenethyl-1-[3-(trifluoromethyl)benzyl]-4H-pyrimidine-5-carboxylic acid methyl ester > InChI=1S/C30H30F3N3O2/c1-21-27(28(37)38-2)26(17-16-22-10-5-3-6-11-22)35-29(34-19-23-12-7-4-8-13-23)36(21)20-24-14-9-15-25(18-24)30(31,32)33/h3-15,18,26H,16-17,19-20H2,1-2H3,(H,34,35) > FUEAODNNPZSGCH-UHFFFAOYSA-N > 5.8 > 521.22901169 > C30H30F3N3O2 > 521.6 > CC1=C(C(N=C(N1CC2=CC(=CC=C2)C(F)(F)F)NCC3=CC=CC=C3)CCC4=CC=CC=C4)C(=O)OC > CC1=C(C(N=C(N1CC2=CC(=CC=C2)C(F)(F)F)NCC3=CC=CC=C3)CCC4=CC=CC=C4)C(=O)OC > 53.9 > 521.22901169 > 0 > 38 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 21 8 17 22 8 18 23 8 18 24 8 21 26 8 22 27 8 23 29 8 24 30 8 25 32 8 25 33 8 26 28 8 27 28 8 29 31 8 30 31 8 32 36 8 33 37 8 36 38 8 37 38 8 9 10 3 $$$$