(S)-3-chloro-N-(1-(3-(methylamino)-4-nitro-1-(pyrimidin-2-yl)-1H-pyrazol-5-yl)ethyl)-5-(methylsulfonyl)benzamide
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Basic information
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Exact Mass | 479.07786 |
Smiles | O=C(N[C@H](C1=C([N+]([O-])=O)C(NC)=NN1C1=NC=CC=N1)C)C1=CC(S(=O)(C)=O)=CC(Cl)=C1 |
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Canonical Smiles | CNC1=NN(C2N=CC=CN=2)C([C@H](C)NC(=O)C2=CC(=CC(Cl)=C2)S(C)(=O)=O)=C1[N+]([O-])=O |
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Inchi | InChI=1S/C18H18ClN7O5S/c1-10(23-17(27)11-7-12(19)9-13(8-11)32(3,30)31)14-15(26(28)29)16(20-2)24-25(14)18-21-5-4-6-22-18/h4-10H,1-3H3,(H,20,24)(H,23,27)/t10-/m0/s1 |
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InchiKey | CBJAIGTUSHWIJO-JTQLQIEISA-N |
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