1401 -OEChem-05102418012D 79 81 0 0 0 0 0 0 0999 V2000 6.3301 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 -0.2908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -0.7742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 -0.7847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.7708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -0.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 -0.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0622 0.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7903 -0.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9301 1.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 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 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 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 3.7320 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 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 13.7900 -1.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5870 -1.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7266 0.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9296 0.1923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0580 -1.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8550 -1.2573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5220 -1.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3191 -1.2707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8523 1.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4512 0.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9946 0.1959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1975 0.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0983 -0.8356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3285 0.0104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4824 0.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2380 0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4682 1.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6222 1.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7239 -1.3942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 1.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 4.7869 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 3.4220 3.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 2 0 0 0 0 2 34 1 0 0 0 0 2 37 1 0 0 0 0 3 35 1 0 0 0 0 3 38 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 23 1 0 0 0 0 5 66 1 0 0 0 0 6 17 1 0 0 0 0 6 26 1 0 0 0 0 6 67 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 7 68 1 0 0 0 0 8 23 2 0 0 0 0 8 28 1 0 0 0 0 9 25 1 0 0 0 0 9 28 2 0 0 0 0 10 23 1 0 0 0 0 10 31 2 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 16 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 18 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 19 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 29 69 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 70 1 0 0 0 0 32 35 1 0 0 0 0 32 71 1 0 0 0 0 33 34 2 0 0 0 0 33 72 1 0 0 0 0 34 36 1 0 0 0 0 35 36 2 0 0 0 0 36 73 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 M END > 1401 > 1 > 690 > 8 > 3 > 13 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx/AAAHgAQAAAADIzBmwY/tt/IFACoAjJndACCiCkxIKAB2KAuTJiML+LE+duENCht1RfI6CeQ8P4OgAABCAAAAAAAAAIQAAAAAAAAAAAAAA== > 1-tert-butyl-3-[2-[4-(diethylamino)butylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea > 1-tert-butyl-3-[2-[4-(diethylamino)butylamino]-6-(3,5-dimethoxyphenyl)-7-pyrido[2,3-d]pyrimidinyl]urea > 1-tert-butyl-3-[2-[4-(diethylamino)butylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea > 1-tert-butyl-3-[2-[4-(diethylamino)butylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea > 1-tert-butyl-3-[2-[4-(diethylamino)butylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea > 1-tert-butyl-3-[2-[4-(diethylamino)butylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea > InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36) > DXCUKNQANPLTEJ-UHFFFAOYSA-N > 4.5 > 523.32708820 > C28H41N7O3 > 523.7 > CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C > CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C > 114 > 523.32708820 > 0 > 38 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 23 8 10 31 8 24 25 8 24 29 8 27 28 8 27 29 8 27 31 8 30 32 8 30 33 8 32 35 8 33 34 8 34 36 8 35 36 8 8 23 8 8 28 8 9 25 8 9 28 8 $$$$