小分子和化合物库

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  1. 酮康唑
    CAS号: 65277-42-1        EC号: 265-667-4
    分子式: C26H28Cl2N4O4        分子量: 531.43
    IUPAC Name: 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
    SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
    InChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-N
    InChI: 1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
  2. 2'-OMe-G(dmf) 亚磷酰胺单体
    CAS号: 128219-77-2
    分子式: C44H55N8O8P        分子量: 854.93
    IUPAC Name: N'-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-methoxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide
    SMILES: CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1OC)N2C=NC3=C2N=C(NC3=O)N=CN(C)C)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
    InChIKey: ZGDBCILCTOHNAB-NANSYJOBSA-N
    InChI: 1S/C44H55N8O8P/c1-29(2)52(30(3)4)61(58-25-13-24-45)60-38-36(59-42(39(38)56-9)51-28-46-37-40(51)48-43(49-41(37)53)47-27-50(5)6)26-57-44(31-14-11-10-12-15-31,32-16-20-34(54-7)21-17-32)33-18-22-35(55-8)2See more
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