52340652 -OEChem-03292408482D 55 57 0 0 0 0 0 0 0999 V2000 3.7320 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 5.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 5.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 5.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 5.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 4.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 3.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 6.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 6.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -7.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -6.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 30 1 0 0 0 0 2 15 2 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 6 30 2 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 42 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 23 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 20 2 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 19 2 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 39 1 0 0 0 0 20 28 1 0 0 0 0 20 40 1 0 0 0 0 21 29 2 0 0 0 0 21 41 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 22 30 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 25 27 2 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 28 31 2 0 0 0 0 28 51 1 0 0 0 0 29 31 1 0 0 0 0 29 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 M END > 52340652 > 1 > 736 > 7 > 2 > 9 > AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHgAQAAAADAzhmAYzzoPABACIAiXWWACCCAAlIgAIiIEObMiMJjrM9ZuGMShs1TPI6ee42SOeCEAAAAAAAAAQgAAAAAAAAAAAAAAAAA== > butyl 4-[[(E)-[1-(4-methoxyphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]amino]benzoate > 4-[[(E)-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]benzoic acid butyl ester > butyl 4-[[(E)-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]benzoate > butyl 4-[[(E)-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]benzoate > butyl 4-[[(E)-[1-(4-methoxyphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]amino]benzoate > 4-[[(E)-[2,4,6-triketo-1-(4-methoxyphenyl)hexahydropyrimidin-5-ylidene]methyl]amino]benzoic acid butyl ester > InChI=1S/C23H23N3O6/c1-3-4-13-32-22(29)15-5-7-16(8-6-15)24-14-19-20(27)25-23(30)26(21(19)28)17-9-11-18(31-2)12-10-17/h5-12,14,24H,3-4,13H2,1-2H3,(H,25,27,30)/b19-14+ > DJQOOBULRGVOKZ-XMHGGMMESA-N > 3.5 > 437.15868546 > C23H23N3O6 > 437.4 > CCCCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)OC > CCCCOC(=O)C1=CC=C(C=C1)N/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)OC > 114 > 437.15868546 > 0 > 32 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 12 20 8 12 21 8 18 24 8 18 25 8 20 28 8 21 29 8 22 26 8 22 27 8 24 26 8 25 27 8 28 31 8 29 31 8 $$$$