7694069 -OEChem-04252414572D 43 47 0 0 0 0 0 0 0999 V2000 9.4398 2.0580 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 -1.7648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1047 1.8909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6089 -0.6080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2337 -0.2762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8368 1.8909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7028 0.3909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2006 0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8669 -1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 -0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9708 0.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5874 -0.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6388 -1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8368 -0.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6276 -1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9708 1.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0460 2.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7028 1.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0347 2.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2023 -2.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2483 -1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8038 -2.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8336 -2.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 0.4974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0706 0.9110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 -1.7807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3284 -1.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2052 0.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5895 0.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -0.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7488 -1.3468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4865 0.5053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7289 0.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0469 3.4827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4295 2.9288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6243 3.1576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9060 3.5723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5850 -2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8642 -1.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5489 -3.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1996 -3.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 14 2 0 0 0 0 3 18 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 16 1 0 0 0 0 7 20 2 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 15 17 1 0 0 0 0 15 22 2 0 0 0 0 16 17 1 0 0 0 0 17 23 2 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END > 7694069 > 1 > 618 > 4 > 0 > 2 > AAADceB7sABAAAAAAAAAAAAAAAAAAWLFgAAwQAAAAAAAAFgB8AAAHgQAAAAADAjF3gSxwPMMEAioAyVydACCkCFnEjAJ2CG4dNgIYPrA3fGUJYhghgDIyUcYiYCeAAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > 8-(2-oxo-2-pyrrolidin-1-yl-ethyl)-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-10-one > 8-[2-oxo-2-(1-pyrrolidinyl)ethyl]-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-10-one > 8-(2-oxo-2-pyrrolidin-1-ylethyl)-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-10-one > 8-(2-oxo-2-pyrrolidin-1-ylethyl)-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-10-one > 8-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-10-one > 8-(2-keto-2-pyrrolidino-ethyl)-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-10-one > InChI=1S/C18H18N4O2S/c23-14(20-7-3-4-8-20)11-22-13-6-2-1-5-12(13)15-16(22)17(24)21-9-10-25-18(21)19-15/h1-2,5-6H,3-4,7-11H2 > KCFDEHUJFJKLQS-UHFFFAOYSA-N > 2.1 > 354.11504700 > C18H18N4O2S > 354.4 > C1CCN(C1)C(=O)CN2C3=CC=CC=C3C4=C2C(=O)N5CCSC5=N4 > C1CCN(C1)C(=O)CN2C3=CC=CC=C3C4=C2C(=O)N5CCSC5=N4 > 83.2 > 354.11504700 > 0 > 25 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 13 16 8 13 18 8 15 17 8 15 22 8 16 17 8 17 23 8 22 24 8 23 25 8 24 25 8 5 13 8 5 15 8 6 18 8 6 20 8 7 16 8 7 20 8 $$$$