60330102 -OEChem-03282414002D 59 61 0 1 0 0 0 0 0999 V2000 7.2641 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 4.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.1301 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6660 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 4.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1301 -3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0521 -1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6535 -2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 -2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 -2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 -3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 -3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5101 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7501 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7407 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5522 -4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1722 -2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -4.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4182 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0382 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 21 2 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 6 48 1 0 0 0 0 7 16 2 0 0 0 0 7 21 1 0 0 0 0 8 18 1 0 0 0 0 8 22 1 0 0 0 0 8 49 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 17 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 16 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 18 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 22 25 2 0 0 0 0 22 28 1 0 0 0 0 23 26 1 0 0 0 0 23 50 1 0 0 0 0 24 27 1 0 0 0 0 24 51 1 0 0 0 0 25 29 1 0 0 0 0 25 31 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 30 2 0 0 0 0 28 54 1 0 0 0 0 29 32 2 0 0 0 0 29 55 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 M CHG 2 3 -1 9 1 M END > 60330102 > 1 > 722 > 5 > 2 > 8 > AAADceB7uAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAUAAAADCjBmAQzwIPQQACpAidydwCCAAElAgApiAEYZMoIYDrA3ZGUIYhglADIyccYiACOAACAQAACAAAAAQCAAAQAAAAAAAAAAA== > N-(2-methyl-4-nitro-phenyl)-3-[(4-oxo-1H-quinazolin-2-yl)methyl-sec-butyl-amino]propanamide > 3-[butan-2-yl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-(2-methyl-4-nitrophenyl)propanamide > 3-[butan-2-yl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-(2-methyl-4-nitrophenyl)propanamide > 3-[butan-2-yl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-(2-methyl-4-nitrophenyl)propanamide > 3-[butan-2-yl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]-N-(2-methyl-4-nitro-phenyl)propanamide > 3-[(4-keto-1H-quinazolin-2-yl)methyl-sec-butyl-amino]-N-(2-methyl-4-nitro-phenyl)propionamide > InChI=1S/C23H27N5O4/c1-4-16(3)27(14-21-24-20-8-6-5-7-18(20)23(30)26-21)12-11-22(29)25-19-10-9-17(28(31)32)13-15(19)2/h5-10,13,16H,4,11-12,14H2,1-3H3,(H,25,29)(H,24,26,30) > NZZUZFFPBMXLCQ-UHFFFAOYSA-N > 3.1 > 437.20630436 > C23H27N5O4 > 437.5 > CCC(C)N(CCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C)CC2=NC(=O)C3=CC=CC=C3N2 > CCC(C)N(CCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C)CC2=NC(=O)C3=CC=CC=C3N2 > 120 > 437.20630436 > 0 > 32 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 3 19 20 8 19 23 8 20 21 8 20 24 8 22 25 8 22 28 8 23 26 8 24 27 8 25 29 8 26 27 8 28 30 8 29 32 8 30 32 8 6 16 8 6 19 8 7 16 8 7 21 8 $$$$