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1,3-dimethyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-propan-2-yl-purine-2,6-dione
1,3-dimethyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-propan-2-yl-purine-2,6-dione
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Descriptors Computed from Structure
Canonical SMILES:
CC1CC[NH+](CC1)CC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C
Isomeric SMILES
CC1CC[NH+](CC1)CC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C17H27N5O2/c1-11(2)22-13(10-21-8-6-12(3)7-9-21)18-15-14(22)16(23)20(5)17(24)19(15)4/h11-12H,6-10H2,1-5H3/p+1
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- 8-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione
- 8-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione
- 8-[[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione
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