24979394 -OEChem-04252413412D 61 64 0 0 0 0 0 0 0999 V2000 4.4809 1.3560 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5687 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5687 3.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5687 3.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 -0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0687 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0687 -3.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0687 0.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0687 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5687 -2.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0687 0.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 2.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 1.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4809 2.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0687 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5687 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0687 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5687 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5687 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0687 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0687 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0687 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5687 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0687 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5687 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0687 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5687 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5687 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0687 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5687 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0687 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 2.5798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 1.7503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 3.5367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 3.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 1.0511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 0.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6725 3.5637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0436 0.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0436 1.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6513 -1.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9610 -0.6885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1513 1.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4610 1.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5937 2.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5937 1.7665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2587 -2.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6887 0.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7587 0.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4487 -3.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8787 -1.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2587 -4.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6887 -3.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8787 -4.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6056 4.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7587 4.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5317 3.5871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 20 1 0 0 0 0 2 25 1 0 0 0 0 3 20 2 0 0 0 0 4 28 1 0 0 0 0 4 35 1 0 0 0 0 5 24 2 0 0 0 0 6 26 2 0 0 0 0 7 27 2 0 0 0 0 8 19 1 0 0 0 0 8 22 1 0 0 0 0 8 24 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 9 27 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 51 1 0 0 0 0 11 21 1 0 0 0 0 11 52 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 26 1 0 0 0 0 22 28 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 29 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 54 1 0 0 0 0 31 33 2 0 0 0 0 31 55 1 0 0 0 0 32 34 2 0 0 0 0 32 56 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 M END > 24979394 > 1 > 874 > 8 > 2 > 10 > AAADceB7uABAAAAAAAAAAAAAAAAAAaIAAAAwQAAAAAASAAABwAAAHgQQAAAADAjh2AYzCYPABAiMAiXSWAKDAIAkCBBIiBnIDMiKZjKgtT2XMQhsxyO4qceYyKCOAAAAAAAAAAAAAAAAAAAAAAAAAgAAAA== > [2-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxo-ethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate > 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid [2-[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-(2-methoxyethyl)amino]-2-oxoethyl] ester > [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate > [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate > [2-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxidanylidene-ethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate > 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid [2-[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-(2-methoxyethyl)amino]-2-keto-ethyl] ester > InChI=1S/C24H26N4O6S/c1-33-11-10-27(19(29)14-34-23(31)18-12-16-8-5-9-17(16)35-18)20-21(25)28(24(32)26-22(20)30)13-15-6-3-2-4-7-15/h2-4,6-7,12H,5,8-11,13-14,25H2,1H3,(H,26,30,32) > JCUWPMXFNNXTOZ-UHFFFAOYSA-N > 1.9 > 498.15730574 > C24H26N4O6S > 498.6 > COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC4=C(S3)CCC4 > COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC4=C(S3)CCC4 > 160 > 498.15730574 > 0 > 35 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 16 8 1 18 8 10 26 8 10 27 8 15 16 8 15 17 8 17 18 8 19 21 8 19 26 8 29 30 8 29 31 8 30 32 8 31 33 8 32 34 8 33 34 8 9 21 8 9 27 8 $$$$