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7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione
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Descriptors Computed from Structure
Canonical SMILES:
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCCCC3)CC4=CC=CC=C4F
Isomeric SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCCCC3)CC4=CC=CC=C4F
InChI
InChI=1S/C20H24FN5O2/c1-23-18-17(19(27)24(2)20(23)28)26(12-14-8-4-5-9-15(14)21)16(22-18)13-25-10-6-3-7-11-25/h4-5,8-9H,3,6-7,10-13H2,1-2H3/p+1
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