Ketcher 09251815582D 1 1.00000 0.00000 0 37 40 0 0 0 999 V2000 19.9713 -3.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9792 -3.3077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2998 -4.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3888 -3.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5042 -2.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4821 -2.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8032 -1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1408 -0.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1629 -0.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8418 -1.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5178 -4.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5178 -5.1202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6524 -5.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6524 -6.6226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5178 -7.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3833 -6.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3833 -5.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2487 -5.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2487 -7.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2487 -8.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3833 -8.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5178 -8.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3833 -9.6217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5178 -10.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6524 -9.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7871 -10.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5178 -11.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1140 -8.6219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9850 -8.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8506 -8.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7160 -8.1249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5813 -8.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7160 -7.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1140 -9.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7870 -5.1202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7870 -4.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6524 -3.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 6 5 1 0 0 0 2 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 10 9 1 0 0 0 5 10 2 0 0 0 4 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 16 19 1 0 0 0 19 20 2 0 0 0 21 20 1 0 0 0 22 21 2 0 0 0 15 22 1 0 0 0 21 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 24 27 2 0 0 0 20 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 31 33 1 0 0 0 28 34 1 0 0 0 13 35 2 0 0 0 36 35 1 0 0 0 37 36 2 0 0 0 11 37 1 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 M END > CHEBI:90943 > osimertinib > A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer. > 3 > N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide; mereletinib; AZD9291; AZD-9291; AZD 9291 > N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)acrylamide > osimertinibum; osimertinib; osimertinib; osimertinib > C28H33N7O2 > 499.608 > 499.26957 > 0 > CN1C=2C(C(C3=NC(NC4=C(OC)C=C(C(=C4)NC(C=C)=O)N(CCN(C)C)C)=NC=C3)=C1)=CC=CC2 > InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) > DUYJMQONPNNFPI-UHFFFAOYSA-N > 1421373-65-0 > 23334373 > 1421373-65-0 > DB09330 > LSM-6344 > Osimertinib > 26450446; 26515464; 26620497; 26720284; 26720671; 26729184; 29151359; 29782558; 29852038; 29999920; 30034220; 30126856; 30151614; 30153097; 30189719; 30194172; 30224350; 30358214; 30916819; 31446643; 32569688; 33163272; 33896242; 34303194; 34734065; 35015529; 35793806; 36031292; 36093451; 36104273; 36201715; 36210715; 36237272; 36258694; 36328480; 36354696; 36373445; 36420659; 36480925; 36527745; 36543437; 36544540; 36575215; 36578073; 36597021; 36638566; 37516900; 38115126 $$$$