小分子和化合物库
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咪鲜安CAS号: 67747-09-5 EC号: 266-994-5分子式: C15H16Cl3N3O2 分子量: 376.67IUPAC Name: N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamideSMILES: CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2InChIKey: TVLSRXXIMLFWEO-UHFFFAOYSA-NInChI: 1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
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乙酸异龙脑酯分子式: C12H20O2 分子量: 196.29IUPAC Name: [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetateSMILES: CC(=O)OC1CC2CCC1(C2(C)C)CInChIKey: KGEKLUUHTZCSIP-JBLDHEPKSA-NInChI: 1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m0/s1
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5-氯-1-(4-哌啶基)-2-苯并咪唑酮CAS号: 53786-28-0分子式: C12H14ClN3O 分子量: 251.71IUPAC Name: 6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-oneSMILES: C1CNCCC1N2C3=C(C=C(C=C3)Cl)NC2=OInChIKey: DOAYWDKFDPSTSV-UHFFFAOYSA-NInChI: 1S/C12H14ClN3O/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,17)
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7-(二乙氨基)香豆素-3-甲酸乙酯CAS号: 28705-46-6分子式: C16H19NO4 分子量: 289.33IUPAC Name: ethyl 7-(diethylamino)-2-oxochromene-3-carboxylateSMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OCCInChIKey: MSOLGAJLRIINNF-UHFFFAOYSA-NInChI: 1S/C16H19NO4/c1-4-17(5-2)12-8-7-11-9-13(15(18)20-6-3)16(19)21-14(11)10-12/h7-10H,4-6H2,1-3H3
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4-氨基苯甲酸异丁酯CAS号: 94-14-4分子式: C11H15NO2 分子量: 193.25IUPAC Name: 2-methylpropyl 4-aminobenzoateSMILES: CC(C)COC(=O)C1=CC=C(C=C1)NInChIKey: PUYOAVGNCWPANW-UHFFFAOYSA-NInChI: 1S/C11H15NO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7,12H2,1-2H3
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3-巯基异丁酸CAS号: 26473-47-2分子式: C4H8O2S 分子量: 120.17IUPAC Name: 2-methyl-3-sulfanylpropanoic acidSMILES: CC(CS)C(=O)OInChIKey: MHRDCHHESNJQIS-UHFFFAOYSA-NInChI: 1S/C4H8O2S/c1-3(2-7)4(5)6/h3,7H,2H2,1H3,(H,5,6)
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