44246396 -OEChem-03282419472D 56 58 0 1 0 0 0 0 0999 V2000 3.7320 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.0208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2241 1.4653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 3.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 3.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 3.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 3.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 2.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 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 5.4641 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6177 4.0137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8195 4.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3909 4.0006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5939 3.9976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3392 1.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7410 2.0853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4003 2.7196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 0.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0383 2.9951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2620 3.8429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 4.0666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2460 2.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8684 1.4075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4860 2.0299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 16 2 0 0 0 0 3 24 1 0 0 0 0 3 27 1 0 0 0 0 4 26 1 0 0 0 0 4 28 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 36 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 8 16 1 0 0 0 0 8 19 1 0 0 0 0 8 47 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 14 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 20 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 48 1 0 0 0 0 23 25 2 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 M END > 44246396 > 1 > 625 > 6 > 2 > 7 > AAADceB7sABAAAAAAAAAAAAAAAAAAAAAAAAwQIAAAAAAAACxAAAAHgQQAAAADQTBmAYzBoPABACMAiFSUACCCAAgIAkIiIEOiMiNJiqE8RuEMCIswROKqEeQ0LIOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-isobutyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one > 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one > 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one > 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one > 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one > 1-homoveratryl-6-isobutyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one > InChI=1S/C20H28N4O3S/c1-13(2)10-23-11-15-18(21-12-23)24(20(28)22-19(15)25)8-7-14-5-6-16(26-3)17(9-14)27-4/h5-6,9,13,21H,7-8,10-12H2,1-4H3,(H,22,25,28) > ZQZRSGVEEBFWSZ-UHFFFAOYSA-N > 2.9 > 404.18821194 > C20H28N4O3S > 404.5 > CC(C)CN1CC2=C(NC1)N(C(=S)NC2=O)CCC3=CC(=C(C=C3)OC)OC > CC(C)CN1CC2=C(NC1)N(C(=S)NC2=O)CCC3=CC(=C(C=C3)OC)OC > 98.2 > 404.18821194 > 0 > 28 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 13 8 12 16 8 21 22 8 21 23 8 22 24 8 23 25 8 24 26 8 25 26 8 7 13 8 7 19 8 8 16 8 8 19 8 $$$$