1045135 -OEChem-05132418142D 56 59 0 0 0 0 0 0 0999 V2000 11.2536 -2.5121 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.8612 -0.0260 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.8651 0.9779 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.8613 -0.0182 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 -0.0021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3933 -1.0087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 -0.0126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 1.5429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1254 -1.0154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 0.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6613 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 -0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5254 -1.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2574 -1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 2.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9895 -1.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8574 -1.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9856 -2.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7215 -1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8613 -0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8497 -3.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7176 -2.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9334 0.9680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1364 0.9711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0511 -0.8920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4470 -1.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0073 -0.1188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6115 0.5730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -1.9788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9221 -1.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1277 -0.3954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 2.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -1.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -0.8703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -0.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 -2.0149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4475 -2.8267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2596 -1.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8473 -3.6421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2534 -2.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 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 24 2 0 0 0 0 6 31 1 0 0 0 0 6 56 1 0 0 0 0 7 31 2 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 10 18 1 0 0 0 0 10 20 2 0 0 0 0 11 20 1 0 0 0 0 11 23 1 0 0 0 0 11 25 1 0 0 0 0 12 18 2 0 0 0 0 12 22 1 0 0 0 0 13 19 1 0 0 0 0 13 26 1 0 0 0 0 13 44 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 45 1 0 0 0 0 23 29 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 27 1 0 0 0 0 25 27 2 0 0 0 0 25 48 1 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 31 1 0 0 0 0 28 32 2 0 0 0 0 28 33 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 34 1 0 0 0 0 30 52 1 0 0 0 0 32 35 1 0 0 0 0 32 53 1 0 0 0 0 34 35 2 0 0 0 0 34 54 1 0 0 0 0 35 55 1 0 0 0 0 M END > 1045135 > 1 > 864 > 11 > 2 > 4 > AAADceB7sYBAAAAAAAAAAAAAAAAAAAAAAAA8WIEAAAAAAACBwAAAHwQQCAAADAzBmhQ/+JfIEgCsArb3bACCgCk1AqkJ2CEoZNiIbL7I2dGUZIhssALI2OeYkQIOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > 8-ethyl-5-oxo-2-[4-[[2-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid > 8-ethyl-5-oxo-2-[4-[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]-1-piperazinyl]-6-pyrido[2,3-d]pyrimidinecarboxylic acid > 8-ethyl-5-oxo-2-[4-[[2-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid > 8-ethyl-5-oxo-2-[4-[[2-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid > 8-ethyl-5-oxidanylidene-2-[4-[[2-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid > 8-ethyl-5-keto-2-[4-[[2-(trifluoromethyl)phenyl]thiocarbamoyl]piperazino]pyrido[2,3-d]pyrimidine-6-carboxylic acid > InChI=1S/C22H21F3N6O3S/c1-2-29-12-14(19(33)34)17(32)13-11-26-20(28-18(13)29)30-7-9-31(10-8-30)21(35)27-16-6-4-3-5-15(16)22(23,24)25/h3-6,11-12H,2,7-10H2,1H3,(H,27,35)(H,33,34) > ZGGMATOKRDGWJQ-UHFFFAOYSA-N > 2.9 > 506.13479421 > C22H21F3N6O3S > 506.5 > CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4C(F)(F)F)C(=O)O > CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4C(F)(F)F)C(=O)O > 134 > 506.13479421 > 0 > 35 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 18 8 10 20 8 11 20 8 11 25 8 12 18 8 12 22 8 20 21 8 21 22 8 21 24 8 24 27 8 25 27 8 26 28 8 26 30 8 28 32 8 30 34 8 32 35 8 34 35 8 $$$$