54684445 -OEChem-03292400382D 45 47 0 0 0 0 0 0 0999 V2000 3.7320 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 12 2 0 0 0 0 3 16 1 0 0 0 0 3 40 1 0 0 0 0 4 13 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 14 17 1 0 0 0 0 14 33 1 0 0 0 0 15 18 2 0 0 0 0 15 34 1 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END > 54684445 > 1 > 641 > 4 > 2 > 5 > AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHgAQCAAADATBmAQxAIPAAgCIAiFSEACCAAAgIAAIiAEIAMiIJCqI0RGEMAAohyKImQcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (5Z)-5-[(E)-1-hydroxy-3-phenyl-prop-2-enylidene]-1-(2-phenylethyl)hexahydropyrimidine-2,4,6-trione > (5Z)-5-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-1-(2-phenylethyl)-1,3-diazinane-2,4,6-trione > (5Z)-5-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-1-(2-phenylethyl)-1,3-diazinane-2,4,6-trione > (5Z)-5-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-1-(2-phenylethyl)-1,3-diazinane-2,4,6-trione > (5Z)-5-[(E)-1-oxidanyl-3-phenyl-prop-2-enylidene]-1-(2-phenylethyl)-1,3-diazinane-2,4,6-trione > (5Z)-5-[(E)-1-hydroxy-3-phenyl-prop-2-enylidene]-1-phenethyl-barbituric acid > InChI=1S/C21H18N2O4/c24-17(12-11-15-7-3-1-4-8-15)18-19(25)22-21(27)23(20(18)26)14-13-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,22,25,27)/b12-11+,18-17- > FXQYSNXQELVSLT-DFQUBZKKSA-N > 3.7 > 362.12665706 > C21H18N2O4 > 362.4 > C1=CC=C(C=C1)CCN2C(=O)C(=C(C=CC3=CC=CC=C3)O)C(=O)NC2=O > C1=CC=C(C=C1)CCN2C(=O)/C(=C(/C=C/C3=CC=CC=C3)\O)/C(=O)NC2=O > 86.7 > 362.12665706 > 0 > 27 > 0 > 0 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 14 17 8 15 18 8 17 19 8 18 19 8 22 23 8 22 24 8 23 25 8 24 26 8 25 27 8 26 27 8 9 14 8 9 15 8 $$$$