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8-[(3-chlorophenyl)methylsulfanyl]-1,3-dimethyl-purin-3-ium-2,6-dione
8-[(3-chlorophenyl)methylsulfanyl]-1,3-dimethyl-purin-3-ium-2,6-dione
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Descriptors Computed from Structure
Canonical SMILES:
CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)SCC3=CC(=CC=C3)Cl
Isomeric SMILES
CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)SCC3=CC(=CC=C3)Cl
InChI
InChI=1S/C14H12ClN4O2S/c1-18-11-10(12(20)19(2)14(18)21)16-13(17-11)22-7-8-4-3-5-9(15)6-8/h3-6H,7H2,1-2H3/q+1
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