53346483 -OEChem-05221303062D 67 71 0 0 0 0 0 0 0999 V2000 2.0000 6.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 4.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 -2.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 0.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 4.0170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 -2.4830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 -0.9830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4488 -2.5176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 5.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 5.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 6.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 5.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 -3.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 3.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 -0.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 -1.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5549 -1.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 -3.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5549 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 2.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 -0.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 -5.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 -4.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 -4.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 -3.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 2.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 2.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 -5.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 -3.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4488 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 -6.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3587 -4.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3549 -0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3549 -2.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1438 4.9023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5648 6.6434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 7.0818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 5.0977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4193 4.6593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 4.9094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3028 5.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5538 3.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9009 -4.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2994 -3.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3462 -0.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7447 -1.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 -4.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3598 -5.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 -2.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3598 0.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5538 0.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3598 2.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5538 2.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 -6.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5538 -3.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4416 0.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6047 -6.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 -7.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8447 -6.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6687 -4.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8218 -4.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0487 -5.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8906 -0.6501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8906 -2.3159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 14 2 0 0 0 0 3 16 2 0 0 0 0 4 22 2 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 45 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 8 17 1 0 0 0 0 8 37 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 38 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 18 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 17 19 2 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 20 29 2 0 0 0 0 20 30 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 23 24 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 50 1 0 0 0 0 24 31 2 0 0 0 0 24 32 1 0 0 0 0 25 31 1 0 0 0 0 25 51 1 0 0 0 0 26 32 2 0 0 0 0 26 52 1 0 0 0 0 27 29 1 0 0 0 0 27 53 1 0 0 0 0 28 30 2 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 36 2 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 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 37 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 M END > 53346483 > 1 > 815 > 5 > 1 > 8 > AAADceB7uAAAAAAAAAAAAAAAAABIAAAAAAA8eIEAAAAAAACx0AAAHgAQAAAADQDhmgY/sJPIFACoAjN3dACCgCk1AiAJ2KE4ZNiIIPrA3ZGEIYhqlyLIyecYicCOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 4-[[1-[(4-isopropylphenyl)methyl]-2,4-dioxo-pyrido[2,3-d]pyrimidin-3-yl]methyl]-N-(oxetan-3-ylmethyl)benzamide > 4-[[2,4-dioxo-1-[(4-propan-2-ylphenyl)methyl]-3-pyrido[2,3-d]pyrimidinyl]methyl]-N-(3-oxetanylmethyl)benzamide > 4-[[2,4-dioxo-1-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-3-yl]methyl]-N-(oxetan-3-ylmethyl)benzamide > 4-[[2,4-bis(oxidanylidene)-1-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-3-yl]methyl]-N-(oxetan-3-ylmethyl)benzamide > 4-[[1-(4-isopropylbenzyl)-2,4-diketo-pyrido[2,3-d]pyrimidin-3-yl]methyl]-N-(oxetan-3-ylmethyl)benzamide > InChI=1S/C29H30N4O4/c1-19(2)23-9-5-20(6-10-23)15-32-26-25(4-3-13-30-26)28(35)33(29(32)36)16-21-7-11-24(12-8-21)27(34)31-14-22-17-37-18-22/h3-13,19,22H,14-18H2,1-2H3,(H,31,34) > QAULSQIPKVKXMI-UHFFFAOYSA-N > 3.3 > 498.226705 > C29H30N4O4 > 498.5729 > CC(C)C1=CC=C(C=C1)CN2C3=C(C=CC=N3)C(=O)N(C2=O)CC4=CC=C(C=C4)C(=O)NCC5COC5 > CC(C)C1=CC=C(C=C1)CN2C3=C(C=CC=N3)C(=O)N(C2=O)CC4=CC=C(C=C4)C(=O)NCC5COC5 > 91.8 > 498.226705 > 0 > 37 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 1 3 > 17 19 8 18 25 8 18 26 8 19 22 8 19 33 8 20 29 8 20 30 8 21 27 8 21 28 8 24 31 8 24 32 8 25 31 8 26 32 8 27 29 8 28 30 8 33 36 8 36 37 8 6 16 8 6 17 8 7 16 8 7 22 8 8 17 8 8 37 8 $$$$