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1,3-dimethyl-7-(2-methylpropyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione
1,3-dimethyl-7-(2-methylpropyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione
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Descriptors Computed from Structure
Canonical SMILES:
CC(C)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCOCC3
Isomeric SMILES
CC(C)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCOCC3
InChI
InChI=1S/C16H25N5O3/c1-11(2)9-21-12(10-20-5-7-24-8-6-20)17-14-13(21)15(22)19(4)16(23)18(14)3/h11H,5-10H2,1-4H3/p+1
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- 4-[[(3S)-3-[4-propan-2-yl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
- 2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile
- 3-[[(3S)-3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]pyridine
- 8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
- 3-[[(3S)-3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
- 8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
- 3-[[(3S)-3-(5-ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]pyridine
- 3-[[(3S)-3-(5-ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
- 8-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
- 8-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
