651883 -OEChem-03282413162D 45 45 0 0 0 0 0 0 0999 V2000 4.7320 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9316 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7287 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5062 0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8862 2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1541 -4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7741 -2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0201 -2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6401 -1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 18 2 0 0 0 0 3 19 2 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 32 1 0 0 0 0 5 13 1 0 0 0 0 5 14 2 0 0 0 0 6 13 2 0 0 0 0 6 15 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 34 1 0 0 0 0 8 14 1 0 0 0 0 8 15 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 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 M END > 651883 > 1 > 385 > 8 > 2 > 8 > AAADceBzsABAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgQQAAAADIzFwASDEAbIEAgoAIAQJAAAUAlAAJABAIEIAACACBIoCAAAAAAIEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]pentane-2,4-dione > 3-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]thio]pentane-2,4-dione > 3-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]pentane-2,4-dione > 3-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]pentane-2,4-dione > 3-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]pentane-2,4-dione > 3-[[4-(tert-butylamino)-6-(ethylamino)-s-triazin-2-yl]thio]pentane-2,4-dione > InChI=1S/C14H23N5O2S/c1-7-15-11-16-12(19-14(4,5)6)18-13(17-11)22-10(8(2)20)9(3)21/h10H,7H2,1-6H3,(H2,15,16,17,18,19) > AJKLTOXJWZAGFC-UHFFFAOYSA-N > 3.4 > 325.15724617 > C14H23N5O2S > 325.43 > CCNC1=NC(=NC(=N1)SC(C(=O)C)C(=O)C)NC(C)(C)C > CCNC1=NC(=NC(=N1)SC(C(=O)C)C(=O)C)NC(C)(C)C > 122 > 325.15724617 > 0 > 22 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 5 13 8 5 14 8 6 13 8 6 15 8 8 14 8 8 15 8 $$$$