68039453 -OEChem-05082414112D 65 67 0 0 0 0 0 0 0999 V2000 14.1244 2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 3.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4904 1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4904 3.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1664 2.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5464 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9534 1.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8004 1.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0273 2.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0273 3.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1804 4.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9534 3.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 17 2 0 0 0 0 3 19 2 0 0 0 0 4 31 1 0 0 0 0 4 65 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 5 49 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 6 50 1 0 0 0 0 7 22 1 0 0 0 0 7 27 1 0 0 0 0 7 54 1 0 0 0 0 8 20 1 0 0 0 0 8 30 1 0 0 0 0 8 55 1 0 0 0 0 9 27 2 0 0 0 0 9 30 1 0 0 0 0 10 30 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 18 24 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 51 1 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 23 32 1 0 0 0 0 24 26 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 56 1 0 0 0 0 27 34 1 0 0 0 0 28 31 2 0 0 0 0 28 57 1 0 0 0 0 29 33 2 0 0 0 0 29 58 1 0 0 0 0 31 33 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 34 35 2 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 M END > 68039453 > 1 > 687 > 8 > 5 > 10 > AAADceB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHgAQCAAADEzBmgQ//pbIFgCoAjd3fACCgCk1IqAJ2KE+bNmIbvLC3dOcdQhu1hvI2aec2AOOIAAAQgACAABAAACEAAQAAAAAAAAAAA== > tert-butyl N-[2-[[3-[[4-(5-hydroxy-2-methyl-anilino)pyrimidin-2-yl]amino]benzoyl]amino]ethyl]carbamate > N-[2-[[[3-[[4-(5-hydroxy-2-methylanilino)-2-pyrimidinyl]amino]phenyl]-oxomethyl]amino]ethyl]carbamic acid tert-butyl ester > tert-butyl N-[2-[[3-[[4-(5-hydroxy-2-methylanilino)pyrimidin-2-yl]amino]benzoyl]amino]ethyl]carbamate > tert-butyl N-[2-[[3-[[4-(5-hydroxy-2-methylanilino)pyrimidin-2-yl]amino]benzoyl]amino]ethyl]carbamate > tert-butyl N-[2-[[3-[[4-[(2-methyl-5-oxidanyl-phenyl)amino]pyrimidin-2-yl]amino]phenyl]carbonylamino]ethyl]carbamate > N-[2-[[3-[[4-(5-hydroxy-2-methyl-anilino)pyrimidin-2-yl]amino]benzoyl]amino]ethyl]carbamic acid tert-butyl ester > InChI=1S/C25H30N6O4/c1-16-8-9-19(32)15-20(16)30-21-10-11-27-23(31-21)29-18-7-5-6-17(14-18)22(33)26-12-13-28-24(34)35-25(2,3)4/h5-11,14-15,32H,12-13H2,1-4H3,(H,26,33)(H,28,34)(H2,27,29,30,31) > YKLCGGMCBMJXOD-UHFFFAOYSA-N > 3.9 > 478.23285346 > C25H30N6O4 > 478.5 > CC1=C(C=C(C=C1)O)NC2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)NCCNC(=O)OC(C)(C)C > CC1=C(C=C(C=C1)O)NC2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)NCCNC(=O)OC(C)(C)C > 138 > 478.23285346 > 0 > 35 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 30 8 10 35 8 18 21 8 18 24 8 20 21 8 20 25 8 22 23 8 22 28 8 23 29 8 24 26 8 25 26 8 27 34 8 28 31 8 29 33 8 31 33 8 34 35 8 9 27 8 9 30 8 $$$$