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伊马替尼CAS号 : 152459-95-5 Compound CID : 5291分子式: C29H31N7O 分子量: 493.6IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamideSMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-NInChI: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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来他替尼CAS号 : 111358-88-4 Compound CID : 126565分子式: C26H21N3O4 分子量: 439.46IUPAC Name: (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-oneSMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)OInChIKey: UIARLYUEJFELEN-LROUJFHJSA-NInChI: InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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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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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)
