53316298 -OEChem-03292405492D 62 64 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 4.5981 -2.7500 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 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 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 8.9282 -0.2500 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 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 9.7942 0.2500 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 4.5981 -2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -1.1423 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 8.3913 0.0600 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 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 10.3312 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 32 1 0 0 0 0 3 32 1 0 0 0 0 4 19 1 0 0 0 0 4 33 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 21 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 10 14 1 0 0 0 0 10 36 1 0 0 0 0 10 37 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 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 20 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 46 1 0 0 0 0 21 30 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 26 2 0 0 0 0 22 49 1 0 0 0 0 23 28 1 0 0 0 0 23 50 1 0 0 0 0 24 29 2 0 0 0 0 24 51 1 0 0 0 0 25 27 2 0 0 0 0 25 32 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 31 2 0 0 0 0 28 54 1 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 30 34 2 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 M END > 53316298 > 1 > 772 > 6 > 1 > 10 > AAADceB7MYAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAAABQAAAHwAQAAAADCjBmBYzCIPABACoAiTSbACCAAEgAAAJiIEIBMiIJDqAuRGEMAhukAKIqUeYyOCOAAACAAAAAAAAAAQAAAAAAAAAAAAAAA== > methyl 2-(allylamino)-6-methyl-4-(2-phenylethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 6-methyl-4-(2-phenylethyl)-2-(prop-2-enylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylic acid methyl ester > methyl 6-methyl-4-(2-phenylethyl)-2-(prop-2-enylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 6-methyl-4-(2-phenylethyl)-2-(prop-2-enylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > methyl 6-methyl-4-(2-phenylethyl)-2-(prop-2-enylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-pyrimidine-5-carboxylate > 2-(allylamino)-6-methyl-4-phenethyl-1-[3-(trifluoromethyl)benzyl]-4H-pyrimidine-5-carboxylic acid methyl ester > InChI=1S/C26H28F3N3O2/c1-4-15-30-25-31-22(14-13-19-9-6-5-7-10-19)23(24(33)34-3)18(2)32(25)17-20-11-8-12-21(16-20)26(27,28)29/h4-12,16,22H,1,13-15,17H2,2-3H3,(H,30,31) > UJUNHKRPKTYTKH-UHFFFAOYSA-N > 4.9 > 471.21336163 > C26H28F3N3O2 > 471.5 > CC1=C(C(N=C(N1CC2=CC(=CC=C2)C(F)(F)F)NCC=C)CCC3=CC=CC=C3)C(=O)OC > CC1=C(C(N=C(N1CC2=CC(=CC=C2)C(F)(F)F)NCC=C)CCC3=CC=CC=C3)C(=O)OC > 53.9 > 471.21336163 > 0 > 34 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 20 8 17 22 8 18 23 8 18 24 8 20 25 8 22 26 8 23 28 8 24 29 8 25 27 8 26 27 8 28 31 8 29 31 8 9 10 3 $$$$