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阿尔韦莱司他CAS号: 848141-11-7分子式: C25H22F3N5O4S 分子量: 545.53IUPAC Name: 6-methyl-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonylpyridin-2-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamideSMILES: CC1=C(C=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=NC=C(C=C3)S(=O)(=O)C)C4=CC=NN4CInChIKey: QNQZWEGMKJBHEM-UHFFFAOYSA-NInChI: 1S/C25H22F3N5O4S/c1-15-20(22-9-10-31-32(22)2)12-21(23(34)30-13-17-7-8-19(14-29-17)38(3,36)37)24(35)33(15)18-6-4-5-16(11-18)25(26,27)28/h4-12,14H,13H2,1-3H3,(H,30,34)
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乙胺嘧啶分子式: C12H13ClN4 分子量: 248.71IUPAC Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamineSMILES: CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)ClInChIKey: WKSAUQYGYAYLPV-UHFFFAOYSA-NInChI: 1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
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普拉曲沙CAS号: 146464-95-1分子式: C23H23N7O5 分子量: 477.47IUPAC Name: (2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acidSMILES: C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)OInChIKey: OGSBUKJUDHAQEA-WMCAAGNKSA-NInChI: See more
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培美曲塞CAS号: 137281-23-3 EC号: 680-625-9分子式: C20H21N5O6 分子量: 427.41IUPAC Name: (2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acidSMILES: C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)O)C(=O)OInChIKey: WBXPDJSOTKVWSJ-ZDUSSCGKSA-NInChI: 1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1
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特立氟胺CAS号: 163451-81-8 Compound CID : 54684141分子式: C12H9F3N2O2 分子量: 270.21IUPAC Name: (Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamideSMILES: CC(=C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)OInChIKey: UTNUDOFZCWSZMS-YFHOEESVSA-NInChI: 1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-
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甲氧苄氨嘧啶分子式: C14H18N4O3 分子量: 290.32IUPAC Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamineSMILES: COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NInChIKey: IEDVJHCEMCRBQM-UHFFFAOYSA-NInChI: 1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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敌菌净分子式: C13H16N4O2 分子量: 260.29IUPAC Name: 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamineSMILES: COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OCInChIKey: LDBTVAXGKYIFHO-UHFFFAOYSA-NInChI: 1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
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敌菌净分子式: C13H16N4O2 分子量: 260.29IUPAC Name: 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamineSMILES: COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OCInChIKey: LDBTVAXGKYIFHO-UHFFFAOYSA-NInChI: 1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
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乙胺嘧啶分子式: C12H13ClN4 分子量: 248.71IUPAC Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamineSMILES: CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)ClInChIKey: WKSAUQYGYAYLPV-UHFFFAOYSA-NInChI: 1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
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4-氨基蝶呤 水合物分子式: C19H20N8O5·xH2O 分子量: 440.41(as Anhydrous)IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acidSMILES: Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1InChIKey: TVZGACDUOSZQKY-LBPRGKRZSA-NInChI: 1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1
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西维来司他CAS号: 127373-66-4 EC号: 695-701-7分子式: C20H22N2O7S 分子量: 434.46IUPAC Name: 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acidSMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)OInChIKey: BTGNGJJLZOIYID-UHFFFAOYSA-NInChI: 1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
