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白藜芦醇分子式: C14H12O3 分子量: 228.24IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diolSMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)OInChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-NInChI: InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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R406（游离碱）CAS号 : 841290-80-0 Compound CID : 11213558分子式: C22H23FN6O5 分子量: 470.45IUPAC Name: 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-oneSMILES: CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)CInChIKey: NHHQJBCNYHBUSI-UHFFFAOYSA-NInChI: InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
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氟灭酸分子式: C14H10F3NO2 分子量: 281.23IUPAC Name: 2-[3-(trifluoromethyl)anilino]benzoic acidSMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)FInChIKey: LPEPZBJOKDYZAD-UHFFFAOYSA-NInChI: InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
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R406 (free base)CAS号 : 841290-80-0 Compound CID : 11213558分子式: C22H23FN6O5 分子量: 470.45IUPAC Name: 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-oneSMILES: CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)CInChIKey: NHHQJBCNYHBUSI-UHFFFAOYSA-NInChI: InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
