Marvin 08021116082D 24 25 0 0 0 0 999 V2000 10.4997 -21.0700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2141 -20.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2141 -19.8325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4997 -19.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7852 -19.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7852 -20.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9286 -21.0700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4997 -18.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0707 -21.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0707 -21.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7852 -22.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3562 -22.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7851 -23.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3562 -23.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0707 -23.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4997 -23.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 -23.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4997 -21.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2141 -22.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2141 -23.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9286 -23.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0707 -19.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3563 -19.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0707 -18.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 2 1 1 0 0 0 0 18 1 1 0 0 0 0 3 2 1 0 0 0 0 7 2 2 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 8 4 2 0 0 0 0 6 5 2 0 0 0 0 22 5 1 0 0 0 0 9 6 1 0 0 0 0 10 9 1 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 2 0 0 0 0 15 13 2 0 0 0 0 16 13 1 0 0 0 0 15 14 1 0 0 0 0 17 14 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 23 22 1 0 0 0 0 24 22 1 0 0 0 0 M END > CHEBI:42702 > 6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil > A pyrimidone that is uracil which is substituted at positions 1, 5, and 6 by ethoxymethyl, isopropyl, and 3,5-dimethylbenzyl groups, respectively. > 3 > I-EBU-dm; 6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-(1-methylethyl)uracil; 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL > 6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione > C19H26N2O3 > 330.42130 > 330.19434 > 0 > CCOCn1c(Cc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O > InChI=1S/C19H26N2O3/c1-6-24-11-21-16(10-15-8-13(4)7-14(5)9-15)17(12(2)3)18(22)20-19(21)23/h7-9,12H,6,10-11H2,1-5H3,(H,20,22,23) > NVGVZWUORYLPAL-UHFFFAOYSA-N > 7309067 > GCA $$$$