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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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伐瑞拉迪CAS号 : 172732-68-2 Compound CID : 155815分子式: C21H20N2O5 分子量: 380.39IUPAC Name: 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetic acidSMILES: CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)C(=O)C(=O)NInChIKey: BHLXTPHDSZUFHR-UHFFFAOYSA-NInChI: InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)
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VerdiperstatCAS号 : 890655-80-8 Compound CID : 11528958分子式: C11H15N3O2S 分子量: 253.32IUPAC Name: 1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-oneSMILES: CC(C)OCCN1C2=C(C(=O)NC1=S)NC=C2InChIKey: FVJCUZCRPIMVLB-UHFFFAOYSA-NInChI: InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)
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MPO-IN-28CAS号 : 37836-90-1 Compound CID : 2835211分子式: C11H13N5O 分子量: 231.25IUPAC Name: 2-(7-methoxy-4-methylquinazolin-2-yl)guanidineSMILES: CC1=C2C=CC(=CC2=NC(=N1)N=C(N)N)OCInChIKey: ZJBMSSBTCGJZEE-UHFFFAOYSA-NInChI: InChI=1S/C11H13N5O/c1-6-8-4-3-7(17-2)5-9(8)15-11(14-6)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)
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PF-06282999CAS号 : 1435467-37-0 Compound CID : 71571306分子式: C13H12ClN3O3S 分子量: 325.77IUPAC Name: 2-[6-(5-chloro-2-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamideSMILES: COC1=C(C=C(C=C1)Cl)C2=CC(=O)NC(=S)N2CC(=O)NInChIKey: ICYNYWFGIDGBRD-UHFFFAOYSA-NInChI: InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)
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MPO-IN-28CAS号 : 37836-90-1 Compound CID : 2835211分子式: C11H13N5O 分子量: 231.25IUPAC Name: 2-(7-methoxy-4-methylquinazolin-2-yl)guanidineSMILES: CC1=C2C=CC(=CC2=NC(=N1)N=C(N)N)OCInChIKey: ZJBMSSBTCGJZEE-UHFFFAOYSA-NInChI: InChI=1S/C11H13N5O/c1-6-8-4-3-7(17-2)5-9(8)15-11(14-6)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)
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PF-06282999CAS号 : 1435467-37-0 Compound CID : 71571306分子式: C13H12ClN3O3S 分子量: 325.77IUPAC Name: 2-[6-(5-chloro-2-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamideSMILES: COC1=C(C=C(C=C1)Cl)C2=CC(=O)NC(=S)N2CC(=O)NInChIKey: ICYNYWFGIDGBRD-UHFFFAOYSA-NInChI: InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)
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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)
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维迪珀斯塔CAS号 : 890655-80-8 Compound CID : 11528958分子式: C11H15N3O2S 分子量: 253.32IUPAC Name: 1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-oneSMILES: CC(C)OCCN1C2=C(C(=O)NC1=S)NC=C2InChIKey: FVJCUZCRPIMVLB-UHFFFAOYSA-NInChI: InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)
