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尼群地平CAS号: 39562-70-4分子式: C18H20N2O6 分子量: 360.36IUPAC Name: 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateSMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CInChIKey: PVHUJELLJLJGLN-UHFFFAOYSA-NInChI: 1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3
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顺-5-降冰片烯-外型-2,3-二甲酸酐分子式: C9H8O3 分子量: 164.16IUPAC Name: (1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dioneSMILES: C1C2C=CC1C3C2C(=O)OC3=OInChIKey: KNDQHSIWLOJIGP-RNGGSSJXSA-NInChI: 1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2/t4-,5+,6+,7-
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艾替伏辛（HOE 36-801）CAS号: 21715-46-8 Compound CID : 135413553分子式: C17H17ClN2O 分子量: 300.78IUPAC Name: 6-chloro-N-ethyl-4-methyl-4-phenyl-1H-3,1-benzoxazin-2-imineSMILES: CCN=C1NC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3InChIKey: IBYCYJFUEJQSMK-UHFFFAOYSA-NInChI: 1S/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)
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氯化血红素分子式: C34H32ClN4O4Fe 分子量: 651.96IUPAC Name: 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chlorideSMILES: CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3]InChIKey: BTIJJDXEELBZFS-UHFFFAOYSA-KInChI: See more
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六氢吡咯并[1,2-A]吡嗪-1,4-二酮CAS号: 19179-12-5分子式: C7H10N2O2 分子量: 154.17IUPAC Name: 2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dioneSMILES: C1CC2C(=O)NCC(=O)N2C1InChIKey: OWOHLURDBZHNGG-UHFFFAOYSA-NInChI: 1S/C7H10N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h5H,1-4H2,(H,8,11)
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2-羟基-4-氨基-5-羟甲基嘧啶 (5hmC)CAS号: 1123-95-1分子式: C5H7N3O2 分子量: 141.13IUPAC Name: 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-oneSMILES: C1=NC(=O)NC(=C1CO)NInChIKey: RYVNIFSIEDRLSJ-UHFFFAOYSA-NInChI: 1S/C5H7N3O2/c6-4-3(2-9)1-7-5(10)8-4/h1,9H,2H2,(H3,6,7,8,10)
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阿美替尼(HS-10296)CAS号: 1899921-05-1分子式: C30H35N7O2 分子量: 525.64IUPAC Name: N-[5-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamideSMILES: CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C5CC5)OCInChIKey: DOEOECWDNSEFDN-UHFFFAOYSA-NInChI: 1S/C30H35N7O2/c1-6-29(38)32-24-17-25(28(39-5)18-27(24)36(4)16-15-35(2)3)34-30-31-14-13-23(33-30)22-19-37(20-11-12-20)26-10-8-7-9-21(22)26/h6-10,13-14,17-20H,1,11-12,15-16H2,2-5H3,(H,32,38)(H,31,33,34)
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阿糖胞苷-5'-三磷酸钠盐 (Ara-CTP trisodium) (水溶液)CAS号: 13191-15-6(free acid)分子式: C9H16N3O14P3(free acid) 分子量: 483.16(free acid)
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2-氨基嘌呤核糖核苷CAS号: 4546-54-7分子式: C10H13N5O4 分子量: 267.24IUPAC Name: (2R,3R,4S,5R)-2-(2-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolSMILES: C1=C2C(=NC(=N1)N)N(C=N2)C3C(C(C(O3)CO)O)OInChIKey: JVOJULURLCZUDE-JXOAFFINSA-NInChI: 1S/C10H13N5O4/c11-10-12-1-4-8(14-10)15(3-13-4)9-7(18)6(17)5(2-16)19-9/h1,3,5-7,9,16-18H,2H2,(H2,11,12,14)/t5-,6-,7-,9-/m1/s1
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西奈芬净(A-9145)CAS号: 58944-73-3 Compound CID : 65482分子式: C15H23N7O5 分子量: 381.39IUPAC Name: (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acidSMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CC(CCC(C(=O)O)N)N)O)O)NInChIKey: LMXOHSDXUQEUSF-YECHIGJVSA-NInChI: 1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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XTP三乙胺盐（水溶液）分子式: C10H15N4O15P3 (free acid) 分子量: 524.17 g/mol (free acid)IUPAC Name: [[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphateSMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=OInChIKey: CAEFEWVYEZABLA-UUOKFMHZSA-NInChI: 1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1
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